7-[6-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-(3-dibenzofuran-2-ylcarbazol-9-yl)pyrimidin-4-yl]-[1]benzofuro[2,3-b]carbazole;9-[6-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]-N,N-diphenylcarbazol-3-amine

C200H122N16O2 — CID 161327253

IUPAC7-[6-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-(3-dibenzofuran-2-ylcarbazol-9-yl)pyrimidin-4-yl]-[1]benzofuro[2,3-b]carbazole;9-[6-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]-N,N-diphenylcarbazol-3-amine
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc4n5-c4cc(-n5c6ccccc6c6cc7c(cc65)oc5ccccc57)nc(-n5c6ccccc6c6cc(-c7ccc8oc9ccccc9c8c7)ccc65)n4)ccc32)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2cc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)n2)cc1
InChIInChI=1S/C106H67N9.C94H55N7O2/c1-6-26-74(27-7-1)109(75-28-8-2-9-29-75)79-52-59-102-91(66-79)84-40-19-24-44-95(84)113(102)104-67-105(108-106(107-104)115-96-45-25-20-39-83(96)88-63-71(51-58-103(88)115)68-46-53-97-85(60-68)80-36-16-21-41-92(80)110(97)76-30-10-3-11-31-76)114-100-56-49-72(69-47-54-98-86(61-69)81-37-17-22-42-93(81)111(98)77-32-12-4-13-33-77)64-89(100)90-65-73(50-57-101(90)114)70-48-55-99-87(62-70)82-38-18-23-43-94(82)112(99)78-34-14-5-15-35-78;1-3-19-62(20-4-1)97-78-29-13-7-23-64(78)70-47-56(35-41-82(70)97)59-37-43-84-73(50-59)74-51-60(57-36-42-83-71(48-57)65-24-8-14-30-79(65)98(83)63-21-5-2-6-22-63)38-44-85(74)99(84)92-55-93(100-80-31-15-9-26-67(80)75-53-77-69-28-12-18-34-89(69)103-91(77)54-87(75)100)96-94(95-92)101-81-32-16-10-25-66(81)72-49-58(39-45-86(72)101)61-40-46-90-76(52-61)68-27-11-17-33-88(68)102-90/h1-67H;1-55H
InChIKeyVKXXGZYPEKUXNL-UHFFFAOYSA-N
MW2781.29 g/mol
LogP52.29
Rot. Bonds20

About 7-[6-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-(3-dibenzofuran-2-ylcarbazol-9-yl)pyrimidin-4-yl]-[1]benzofuro[2,3-b]carbazole;9-[6-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]-N,N-diphenylcarbazol-3-amine

7-[6-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-(3-dibenzofuran-2-ylcarbazol-9-yl)pyrimidin-4-yl]-[1]benzofuro[2,3-b]carbazole;9-[6-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]-N,N-diphenylcarbazol-3-amine (PubChem CID 161327253) has the molecular formula C200H122N16O2 and a molecular weight of 2781.29 g/mol. Its IUPAC name is 7-[6-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-(3-dibenzofuran-2-ylcarbazol-9-yl)pyrimidin-4-yl]-[1]benzofuro[2,3-b]carbazole;9-[6-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]-N,N-diphenylcarbazol-3-amine.

Molecular Properties

Compound Name7-[6-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-(3-dibenzofuran-2-ylcarbazol-9-yl)pyrimidin-4-yl]-[1]benzofuro[2,3-b]carbazole;9-[6-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]-N,N-diphenylcarbazol-3-amine
PubChem CID161327253
Molecular FormulaC200H122N16O2
Molecular Weight2781.29 g/mol
Exact Mass2778.99
IUPAC Name7-[6-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-(3-dibenzofuran-2-ylcarbazol-9-yl)pyrimidin-4-yl]-[1]benzofuro[2,3-b]carbazole;9-[6-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]-N,N-diphenylcarbazol-3-amine
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc4n5-c4cc(-n5c6ccccc6c6cc7c(cc65)oc5ccccc57)nc(-n5c6ccccc6c6cc(-c7ccc8oc9ccccc9c8c7)ccc65)n4)ccc32)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2cc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)n2)cc1
InChIInChI=1S/C106H67N9.C94H55N7O2/c1-6-26-74(27-7-1)109(75-28-8-2-9-29-75)79-52-59-102-91(66-79)84-40-19-24-44-95(84)113(102)104-67-105(108-106(107-104)115-96-45-25-20-39-83(96)88-63-71(51-58-103(88)115)68-46-53-97-85(60-68)80-36-16-21-41-92(80)110(97)76-30-10-3-11-31-76)114-100-56-49-72(69-47-54-98-86(61-69)81-37-17-22-42-93(81)111(98)77-32-12-4-13-33-77)64-89(100)90-65-73(50-57-101(90)114)70-48-55-99-87(62-70)82-38-18-23-43-94(82)112(99)78-34-14-5-15-35-78;1-3-19-62(20-4-1)97-78-29-13-7-23-64(78)70-47-56(35-41-82(70)97)59-37-43-84-73(50-59)74-51-60(57-36-42-83-71(48-57)65-24-8-14-30-79(65)98(83)63-21-5-2-6-22-63)38-44-85(74)99(84)92-55-93(100-80-31-15-9-26-67(80)75-53-77-69-28-12-18-34-89(69)103-91(77)54-87(75)100)96-94(95-92)101-81-32-16-10-25-66(81)72-49-58(39-45-86(72)101)61-40-46-90-76(52-61)68-27-11-17-33-88(68)102-90/h1-67H;1-55H
InChIKeyVKXXGZYPEKUXNL-UHFFFAOYSA-N
XLogP52.29
TPSA135.31 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds20
Heavy Atoms218
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002781.29
LogP ≤ 552.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 7-[6-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-(3-dibenzofuran-2-ylcarbazol-9-yl)pyrimidin-4-yl]-[1]benzofuro[2,3-b]carbazole;9-[6-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]-N,N-diphenylcarbazol-3-amine with MolForge

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Related Compounds

9-[2-(3-dibenzofuran-2-ylcarbazol-9-yl)-6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 126632665
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-6,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-4-(4-phenylphenyl)aniline;9-phenyl-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 158901637
N-phenyl-N-[4-[3-(9-phenylcarbazol-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-2-amine
CID 118289224
N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 118462582
N-dibenzofuran-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-amine;4-phenyl-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-phenyl-4-(9-phenylcarbazol-3-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 158933576
N-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-(4-dibenzofuran-2-ylphenyl)-4-phenylaniline
CID 118405567
9-[2,6-bis(3-dibenzofuran-2-ylcarbazol-9-yl)pyrimidin-4-yl]-3-dibenzofuran-2-ylcarbazole
CID 126632043
4-[4-(4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)anilino)phenyl]-N,N-bis(4-dibenzofuran-2-ylphenyl)aniline;4-N-(4-carbazol-9-ylphenyl)-4-N-(4-dibenzofuran-2-ylphenyl)-1-N,1-N-diphenylnaphthalene-1,4-diamine;4-[4-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-[4-[4-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]phenyl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 157190055
N-(4-naphthalen-2-ylphenyl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-2-amine
CID 58510646
3-N-dibenzofuran-2-yl-1-N,3-N-diphenyl-5-(9-phenylcarbazol-3-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 176781523
N-(4-dibenzofuran-2-ylphenyl)-N-phenanthren-3-yl-9-phenylcarbazol-3-amine
CID 168809759
5-[7-(N-dibenzofuran-2-ylanilino)-9-phenylcarbazol-3-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 146588588

Frequently Asked Questions

What is the IUPAC name of 7-[6-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-(3-dibenzofuran-2-ylcarbazol-9-yl)pyrimidin-4-yl]-[1]benzofuro[2,3-b]carbazole;9-[6-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]-N,N-diphenylcarbazol-3-amine?
The IUPAC name of 7-[6-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-(3-dibenzofuran-2-ylcarbazol-9-yl)pyrimidin-4-yl]-[1]benzofuro[2,3-b]carbazole;9-[6-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]-N,N-diphenylcarbazol-3-amine (CID 161327253) is 7-[6-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-(3-dibenzofuran-2-ylcarbazol-9-yl)pyrimidin-4-yl]-[1]benzofuro[2,3-b]carbazole;9-[6-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]-N,N-diphenylcarbazol-3-amine.
What is the SMILES notation for 7-[6-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-(3-dibenzofuran-2-ylcarbazol-9-yl)pyrimidin-4-yl]-[1]benzofuro[2,3-b]carbazole;9-[6-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]-N,N-diphenylcarbazol-3-amine?
The canonical SMILES for 7-[6-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-(3-dibenzofuran-2-ylcarbazol-9-yl)pyrimidin-4-yl]-[1]benzofuro[2,3-b]carbazole;9-[6-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]-N,N-diphenylcarbazol-3-amine is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc4n5-c4cc(-n5c6ccccc6c6cc7c(cc65)oc5ccccc57)nc(-n5c6ccccc6c6cc(-c7ccc8oc9ccccc9c8c7)ccc65)n4)ccc32)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2cc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)n2)cc1.
What is the InChIKey of 7-[6-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-(3-dibenzofuran-2-ylcarbazol-9-yl)pyrimidin-4-yl]-[1]benzofuro[2,3-b]carbazole;9-[6-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]-N,N-diphenylcarbazol-3-amine?
The InChIKey is VKXXGZYPEKUXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C106H67N9.C94H55N7O2/c1-6-26-74(27-7-1)109(75-28-8-2-9-29-75)79-52-59-102-91(66-79)84-40-19-24-44-95(84)113(102)104-67-105(108-106(107-104)115-96-45-25-20-39-83(96)88-63-71(51-58-103(88)115)68-46-53-97-85(60-68)80-36-16-21-41-92(80)110(97)76-30-10-3-11-31-76)114-100-56-49-72(69-47-54-98-86(61-69)81-37-17-22-42-93(81)111(98)77-32-12-4-13-33-77)64-89(100)90-65-73(50-57-101(90)114)70-48-55-99-87(62-70)82-38-18-23-43-94(82)112(99)78-34-14-5-15-35-78;1-3-19-62(20-4-1)97-78-29-13-7-23-64(78)70-47-56(35-41-82(70)97)59-37-43-84-73(50-59)74-51-60(57-36-42-83-71(48-57)65-24-8-14-30-79(65)98(83)63-21-5-2-6-22-63)38-44-85(74)99(84)92-55-93(100-80-31-15-9-26-67(80)75-53-77-69-28-12-18-34-89(69)103-91(77)54-87(75)100)96-94(95-92)101-81-32-16-10-25-66(81)72-49-58(39-45-86(72)101)61-40-46-90-76(52-61)68-27-11-17-33-88(68)102-90/h1-67H;1-55H.
What are the key properties of 7-[6-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-(3-dibenzofuran-2-ylcarbazol-9-yl)pyrimidin-4-yl]-[1]benzofuro[2,3-b]carbazole;9-[6-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]-N,N-diphenylcarbazol-3-amine?
7-[6-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-(3-dibenzofuran-2-ylcarbazol-9-yl)pyrimidin-4-yl]-[1]benzofuro[2,3-b]carbazole;9-[6-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]-N,N-diphenylcarbazol-3-amine has a molecular weight of 2781.29 g/mol, XLogP of 52.29, 20 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-(3-dibenzofuran-2-ylcarbazol-9-yl)pyrimidin-4-yl]-[1]benzofuro[2,3-b]carbazole;9-[6-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]-N,N-diphenylcarbazol-3-amine is sourced from PubChem (CID 161327253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).