N-[3-[4,6-bis[3-(N-(9-phenylcarbazol-2-yl)anilino)phenyl]-1,3,5-triazin-2-yl]phenyl]-N,9-diphenylcarbazol-2-amine;N-[4-[2,6-bis[4-(N-[4-(9-phenylcarbazol-2-yl)phenyl]anilino)phenyl]pyrimidin-4-yl]phenyl]-N-phenyl-4-(9-phenylcarbazol-2-yl)aniline;4-[2,4-bis[4-(N-[4-(9-phenylcarbazol-2-yl)phenyl]anilino)phenyl]quinazolin-6-yl]-N-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline

C321H217N25 — CID 162220599

IUPACN-[3-[4,6-bis[3-(N-(9-phenylcarbazol-2-yl)anilino)phenyl]-1,3,5-triazin-2-yl]phenyl]-N,9-diphenylcarbazol-2-amine;N-[4-[2,6-bis[4-(N-[4-(9-phenylcarbazol-2-yl)phenyl]anilino)phenyl]pyrimidin-4-yl]phenyl]-N-phenyl-4-(9-phenylcarbazol-2-yl)aniline;4-[2,4-bis[4-(N-[4-(9-phenylcarbazol-2-yl)phenyl]anilino)phenyl]quinazolin-6-yl]-N-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline
SMILESc1ccc(N(c2ccc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc2)c2ccc(-c3cc(-c4ccc(N(c5ccccc5)c5ccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc5)cc4)nc(-c4ccc(N(c5ccccc5)c5ccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc5)cc4)n3)cc2)cc1.c1ccc(N(c2ccc(-c3ccc4nc(-c5ccc(N(c6ccccc6)c6ccc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)cc6)cc5)nc(-c5ccc(N(c6ccccc6)c6ccc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)cc6)cc5)c4c3)cc2)c2ccc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc2)cc1.c1ccc(N(c2cccc(-c3nc(-c4cccc(N(c5ccccc5)c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c4)nc(-c4cccc(N(c5ccccc5)c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c4)n3)c2)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C116H78N8.C112H76N8.C93H63N9/c1-7-25-89(26-8-1)119(96-61-45-80(46-62-96)86-55-71-104-101-37-19-22-40-109(101)122(112(104)76-86)92-31-13-4-14-32-92)95-59-43-79(44-60-95)85-58-74-108-107(75-85)115(83-51-67-99(68-52-83)120(90-27-9-2-10-28-90)97-63-47-81(48-64-97)87-56-72-105-102-38-20-23-41-110(102)123(113(105)77-87)93-33-15-5-16-34-93)118-116(117-108)84-53-69-100(70-54-84)121(91-29-11-3-12-30-91)98-65-49-82(50-66-98)88-57-73-106-103-39-21-24-42-111(103)124(114(106)78-88)94-35-17-6-18-36-94;1-7-25-86(26-8-1)115(92-58-43-77(44-59-92)83-55-70-101-98-37-19-22-40-106(98)118(109(101)73-83)89-31-13-4-14-32-89)95-64-49-80(50-65-95)104-76-105(81-51-66-96(67-52-81)116(87-27-9-2-10-28-87)93-60-45-78(46-61-93)84-56-71-102-99-38-20-23-41-107(99)119(110(102)74-84)90-33-15-5-16-34-90)114-112(113-104)82-53-68-97(69-54-82)117(88-29-11-3-12-30-88)94-62-47-79(48-63-94)85-57-72-103-100-39-21-24-42-108(100)120(111(103)75-85)91-35-17-6-18-36-91;1-7-31-67(32-8-1)97(76-52-55-82-79-46-19-22-49-85(79)100(88(82)61-76)70-37-13-4-14-38-70)73-43-25-28-64(58-73)91-94-92(65-29-26-44-74(59-65)98(68-33-9-2-10-34-68)77-53-56-83-80-47-20-23-50-86(80)101(89(83)62-77)71-39-15-5-16-40-71)96-93(95-91)66-30-27-45-75(60-66)99(69-35-11-3-12-36-69)78-54-57-84-81-48-21-24-51-87(81)102(90(84)63-78)72-41-17-6-18-42-72/h1-78H;1-76H;1-63H
InChIKeyZUBKMPXUVRLVOS-UHFFFAOYSA-N
MW4424.44 g/mol
LogP86.09
Rot. Bonds51

About N-[3-[4,6-bis[3-(N-(9-phenylcarbazol-2-yl)anilino)phenyl]-1,3,5-triazin-2-yl]phenyl]-N,9-diphenylcarbazol-2-amine;N-[4-[2,6-bis[4-(N-[4-(9-phenylcarbazol-2-yl)phenyl]anilino)phenyl]pyrimidin-4-yl]phenyl]-N-phenyl-4-(9-phenylcarbazol-2-yl)aniline;4-[2,4-bis[4-(N-[4-(9-phenylcarbazol-2-yl)phenyl]anilino)phenyl]quinazolin-6-yl]-N-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline

N-[3-[4,6-bis[3-(N-(9-phenylcarbazol-2-yl)anilino)phenyl]-1,3,5-triazin-2-yl]phenyl]-N,9-diphenylcarbazol-2-amine;N-[4-[2,6-bis[4-(N-[4-(9-phenylcarbazol-2-yl)phenyl]anilino)phenyl]pyrimidin-4-yl]phenyl]-N-phenyl-4-(9-phenylcarbazol-2-yl)aniline;4-[2,4-bis[4-(N-[4-(9-phenylcarbazol-2-yl)phenyl]anilino)phenyl]quinazolin-6-yl]-N-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline (PubChem CID 162220599) has the molecular formula C321H217N25 and a molecular weight of 4424.44 g/mol. Its IUPAC name is N-[3-[4,6-bis[3-(N-(9-phenylcarbazol-2-yl)anilino)phenyl]-1,3,5-triazin-2-yl]phenyl]-N,9-diphenylcarbazol-2-amine;N-[4-[2,6-bis[4-(N-[4-(9-phenylcarbazol-2-yl)phenyl]anilino)phenyl]pyrimidin-4-yl]phenyl]-N-phenyl-4-(9-phenylcarbazol-2-yl)aniline;4-[2,4-bis[4-(N-[4-(9-phenylcarbazol-2-yl)phenyl]anilino)phenyl]quinazolin-6-yl]-N-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline.

Molecular Properties

Compound NameN-[3-[4,6-bis[3-(N-(9-phenylcarbazol-2-yl)anilino)phenyl]-1,3,5-triazin-2-yl]phenyl]-N,9-diphenylcarbazol-2-amine;N-[4-[2,6-bis[4-(N-[4-(9-phenylcarbazol-2-yl)phenyl]anilino)phenyl]pyrimidin-4-yl]phenyl]-N-phenyl-4-(9-phenylcarbazol-2-yl)aniline;4-[2,4-bis[4-(N-[4-(9-phenylcarbazol-2-yl)phenyl]anilino)phenyl]quinazolin-6-yl]-N-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline
PubChem CID162220599
Molecular FormulaC321H217N25
Molecular Weight4424.44 g/mol
Exact Mass4420.77
IUPAC NameN-[3-[4,6-bis[3-(N-(9-phenylcarbazol-2-yl)anilino)phenyl]-1,3,5-triazin-2-yl]phenyl]-N,9-diphenylcarbazol-2-amine;N-[4-[2,6-bis[4-(N-[4-(9-phenylcarbazol-2-yl)phenyl]anilino)phenyl]pyrimidin-4-yl]phenyl]-N-phenyl-4-(9-phenylcarbazol-2-yl)aniline;4-[2,4-bis[4-(N-[4-(9-phenylcarbazol-2-yl)phenyl]anilino)phenyl]quinazolin-6-yl]-N-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline
SMILESc1ccc(N(c2ccc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc2)c2ccc(-c3cc(-c4ccc(N(c5ccccc5)c5ccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc5)cc4)nc(-c4ccc(N(c5ccccc5)c5ccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc5)cc4)n3)cc2)cc1.c1ccc(N(c2ccc(-c3ccc4nc(-c5ccc(N(c6ccccc6)c6ccc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)cc6)cc5)nc(-c5ccc(N(c6ccccc6)c6ccc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)cc6)cc5)c4c3)cc2)c2ccc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc2)cc1.c1ccc(N(c2cccc(-c3nc(-c4cccc(N(c5ccccc5)c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c4)nc(-c4cccc(N(c5ccccc5)c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c4)n3)c2)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C116H78N8.C112H76N8.C93H63N9/c1-7-25-89(26-8-1)119(96-61-45-80(46-62-96)86-55-71-104-101-37-19-22-40-109(101)122(112(104)76-86)92-31-13-4-14-32-92)95-59-43-79(44-60-95)85-58-74-108-107(75-85)115(83-51-67-99(68-52-83)120(90-27-9-2-10-28-90)97-63-47-81(48-64-97)87-56-72-105-102-38-20-23-41-110(102)123(113(105)77-87)93-33-15-5-16-34-93)118-116(117-108)84-53-69-100(70-54-84)121(91-29-11-3-12-30-91)98-65-49-82(50-66-98)88-57-73-106-103-39-21-24-42-111(103)124(114(106)78-88)94-35-17-6-18-36-94;1-7-25-86(26-8-1)115(92-58-43-77(44-59-92)83-55-70-101-98-37-19-22-40-106(98)118(109(101)73-83)89-31-13-4-14-32-89)95-64-49-80(50-65-95)104-76-105(81-51-66-96(67-52-81)116(87-27-9-2-10-28-87)93-60-45-78(46-61-93)84-56-71-102-99-38-20-23-41-107(99)119(110(102)74-84)90-33-15-5-16-34-90)114-112(113-104)82-53-68-97(69-54-82)117(88-29-11-3-12-30-88)94-62-47-79(48-63-94)85-57-72-103-100-39-21-24-42-108(100)120(111(103)75-85)91-35-17-6-18-36-91;1-7-31-67(32-8-1)97(76-52-55-82-79-46-19-22-49-85(79)100(88(82)61-76)70-37-13-4-14-38-70)73-43-25-28-64(58-73)91-94-92(65-29-26-44-74(59-65)98(68-33-9-2-10-34-68)77-53-56-83-80-47-20-23-50-86(80)101(89(83)62-77)71-39-15-5-16-40-71)96-93(95-91)66-30-27-45-75(60-66)99(69-35-11-3-12-36-69)78-54-57-84-81-48-21-24-51-87(81)102(90(84)63-78)72-41-17-6-18-42-72/h1-78H;1-76H;1-63H
InChIKeyZUBKMPXUVRLVOS-UHFFFAOYSA-N
XLogP86.09
TPSA163.76 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds51
Heavy Atoms346
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004424.44
LogP ≤ 586.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Analyze N-[3-[4,6-bis[3-(N-(9-phenylcarbazol-2-yl)anilino)phenyl]-1,3,5-triazin-2-yl]phenyl]-N,9-diphenylcarbazol-2-amine;N-[4-[2,6-bis[4-(N-[4-(9-phenylcarbazol-2-yl)phenyl]anilino)phenyl]pyrimidin-4-yl]phenyl]-N-phenyl-4-(9-phenylcarbazol-2-yl)aniline;4-[2,4-bis[4-(N-[4-(9-phenylcarbazol-2-yl)phenyl]anilino)phenyl]quinazolin-6-yl]-N-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4,6-bis[3-(N-(9-phenylcarbazol-2-yl)anilino)phenyl]-1,3,5-triazin-2-yl]phenyl]-N,9-diphenylcarbazol-2-amine;N-[4-[2,6-bis[4-(N-[4-(9-phenylcarbazol-2-yl)phenyl]anilino)phenyl]pyrimidin-4-yl]phenyl]-N-phenyl-4-(9-phenylcarbazol-2-yl)aniline;4-[2,4-bis[4-(N-[4-(9-phenylcarbazol-2-yl)phenyl]anilino)phenyl]quinazolin-6-yl]-N-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline?
The IUPAC name of N-[3-[4,6-bis[3-(N-(9-phenylcarbazol-2-yl)anilino)phenyl]-1,3,5-triazin-2-yl]phenyl]-N,9-diphenylcarbazol-2-amine;N-[4-[2,6-bis[4-(N-[4-(9-phenylcarbazol-2-yl)phenyl]anilino)phenyl]pyrimidin-4-yl]phenyl]-N-phenyl-4-(9-phenylcarbazol-2-yl)aniline;4-[2,4-bis[4-(N-[4-(9-phenylcarbazol-2-yl)phenyl]anilino)phenyl]quinazolin-6-yl]-N-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline (CID 162220599) is N-[3-[4,6-bis[3-(N-(9-phenylcarbazol-2-yl)anilino)phenyl]-1,3,5-triazin-2-yl]phenyl]-N,9-diphenylcarbazol-2-amine;N-[4-[2,6-bis[4-(N-[4-(9-phenylcarbazol-2-yl)phenyl]anilino)phenyl]pyrimidin-4-yl]phenyl]-N-phenyl-4-(9-phenylcarbazol-2-yl)aniline;4-[2,4-bis[4-(N-[4-(9-phenylcarbazol-2-yl)phenyl]anilino)phenyl]quinazolin-6-yl]-N-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline.
What is the SMILES notation for N-[3-[4,6-bis[3-(N-(9-phenylcarbazol-2-yl)anilino)phenyl]-1,3,5-triazin-2-yl]phenyl]-N,9-diphenylcarbazol-2-amine;N-[4-[2,6-bis[4-(N-[4-(9-phenylcarbazol-2-yl)phenyl]anilino)phenyl]pyrimidin-4-yl]phenyl]-N-phenyl-4-(9-phenylcarbazol-2-yl)aniline;4-[2,4-bis[4-(N-[4-(9-phenylcarbazol-2-yl)phenyl]anilino)phenyl]quinazolin-6-yl]-N-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline?
The canonical SMILES for N-[3-[4,6-bis[3-(N-(9-phenylcarbazol-2-yl)anilino)phenyl]-1,3,5-triazin-2-yl]phenyl]-N,9-diphenylcarbazol-2-amine;N-[4-[2,6-bis[4-(N-[4-(9-phenylcarbazol-2-yl)phenyl]anilino)phenyl]pyrimidin-4-yl]phenyl]-N-phenyl-4-(9-phenylcarbazol-2-yl)aniline;4-[2,4-bis[4-(N-[4-(9-phenylcarbazol-2-yl)phenyl]anilino)phenyl]quinazolin-6-yl]-N-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline is c1ccc(N(c2ccc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc2)c2ccc(-c3cc(-c4ccc(N(c5ccccc5)c5ccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc5)cc4)nc(-c4ccc(N(c5ccccc5)c5ccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc5)cc4)n3)cc2)cc1.c1ccc(N(c2ccc(-c3ccc4nc(-c5ccc(N(c6ccccc6)c6ccc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)cc6)cc5)nc(-c5ccc(N(c6ccccc6)c6ccc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)cc6)cc5)c4c3)cc2)c2ccc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc2)cc1.c1ccc(N(c2cccc(-c3nc(-c4cccc(N(c5ccccc5)c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c4)nc(-c4cccc(N(c5ccccc5)c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c4)n3)c2)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1.
What is the InChIKey of N-[3-[4,6-bis[3-(N-(9-phenylcarbazol-2-yl)anilino)phenyl]-1,3,5-triazin-2-yl]phenyl]-N,9-diphenylcarbazol-2-amine;N-[4-[2,6-bis[4-(N-[4-(9-phenylcarbazol-2-yl)phenyl]anilino)phenyl]pyrimidin-4-yl]phenyl]-N-phenyl-4-(9-phenylcarbazol-2-yl)aniline;4-[2,4-bis[4-(N-[4-(9-phenylcarbazol-2-yl)phenyl]anilino)phenyl]quinazolin-6-yl]-N-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline?
The InChIKey is ZUBKMPXUVRLVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C116H78N8.C112H76N8.C93H63N9/c1-7-25-89(26-8-1)119(96-61-45-80(46-62-96)86-55-71-104-101-37-19-22-40-109(101)122(112(104)76-86)92-31-13-4-14-32-92)95-59-43-79(44-60-95)85-58-74-108-107(75-85)115(83-51-67-99(68-52-83)120(90-27-9-2-10-28-90)97-63-47-81(48-64-97)87-56-72-105-102-38-20-23-41-110(102)123(113(105)77-87)93-33-15-5-16-34-93)118-116(117-108)84-53-69-100(70-54-84)121(91-29-11-3-12-30-91)98-65-49-82(50-66-98)88-57-73-106-103-39-21-24-42-111(103)124(114(106)78-88)94-35-17-6-18-36-94;1-7-25-86(26-8-1)115(92-58-43-77(44-59-92)83-55-70-101-98-37-19-22-40-106(98)118(109(101)73-83)89-31-13-4-14-32-89)95-64-49-80(50-65-95)104-76-105(81-51-66-96(67-52-81)116(87-27-9-2-10-28-87)93-60-45-78(46-61-93)84-56-71-102-99-38-20-23-41-107(99)119(110(102)74-84)90-33-15-5-16-34-90)114-112(113-104)82-53-68-97(69-54-82)117(88-29-11-3-12-30-88)94-62-47-79(48-63-94)85-57-72-103-100-39-21-24-42-108(100)120(111(103)75-85)91-35-17-6-18-36-91;1-7-31-67(32-8-1)97(76-52-55-82-79-46-19-22-49-85(79)100(88(82)61-76)70-37-13-4-14-38-70)73-43-25-28-64(58-73)91-94-92(65-29-26-44-74(59-65)98(68-33-9-2-10-34-68)77-53-56-83-80-47-20-23-50-86(80)101(89(83)62-77)71-39-15-5-16-40-71)96-93(95-91)66-30-27-45-75(60-66)99(69-35-11-3-12-36-69)78-54-57-84-81-48-21-24-51-87(81)102(90(84)63-78)72-41-17-6-18-42-72/h1-78H;1-76H;1-63H.
What are the key properties of N-[3-[4,6-bis[3-(N-(9-phenylcarbazol-2-yl)anilino)phenyl]-1,3,5-triazin-2-yl]phenyl]-N,9-diphenylcarbazol-2-amine;N-[4-[2,6-bis[4-(N-[4-(9-phenylcarbazol-2-yl)phenyl]anilino)phenyl]pyrimidin-4-yl]phenyl]-N-phenyl-4-(9-phenylcarbazol-2-yl)aniline;4-[2,4-bis[4-(N-[4-(9-phenylcarbazol-2-yl)phenyl]anilino)phenyl]quinazolin-6-yl]-N-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline?
N-[3-[4,6-bis[3-(N-(9-phenylcarbazol-2-yl)anilino)phenyl]-1,3,5-triazin-2-yl]phenyl]-N,9-diphenylcarbazol-2-amine;N-[4-[2,6-bis[4-(N-[4-(9-phenylcarbazol-2-yl)phenyl]anilino)phenyl]pyrimidin-4-yl]phenyl]-N-phenyl-4-(9-phenylcarbazol-2-yl)aniline;4-[2,4-bis[4-(N-[4-(9-phenylcarbazol-2-yl)phenyl]anilino)phenyl]quinazolin-6-yl]-N-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline has a molecular weight of 4424.44 g/mol, XLogP of 86.09, 51 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4,6-bis[3-(N-(9-phenylcarbazol-2-yl)anilino)phenyl]-1,3,5-triazin-2-yl]phenyl]-N,9-diphenylcarbazol-2-amine;N-[4-[2,6-bis[4-(N-[4-(9-phenylcarbazol-2-yl)phenyl]anilino)phenyl]pyrimidin-4-yl]phenyl]-N-phenyl-4-(9-phenylcarbazol-2-yl)aniline;4-[2,4-bis[4-(N-[4-(9-phenylcarbazol-2-yl)phenyl]anilino)phenyl]quinazolin-6-yl]-N-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline is sourced from PubChem (CID 162220599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).