N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-3-[4-[3-(N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino)phenyl]-6-[3-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]aniline

C93H63N7 — CID 134236787

IUPACN-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-3-[4-[3-(N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino)phenyl]-6-[3-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]aniline
SMILESc1ccc(-c2ccccc2-c2cccc(-c3nc(-c4cccc(N(c5ccccc5)c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5)c4)nc(-c4cccc(N(c5ccccc5)c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5)c4)n3)c2)cc1
InChIInChI=1S/C93H63N7/c1-6-25-66(26-7-1)81-41-16-17-42-82(81)69-27-22-28-70(59-69)91-94-92(71-29-23-39-79(60-71)97(73-31-8-2-9-32-73)77-53-47-64(48-54-77)67-51-57-89-85(62-67)83-43-18-20-45-87(83)99(89)75-35-12-4-13-36-75)96-93(95-91)72-30-24-40-80(61-72)98(74-33-10-3-11-34-74)78-55-49-65(50-56-78)68-52-58-90-86(63-68)84-44-19-21-46-88(84)100(90)76-37-14-5-15-38-76/h1-63H
InChIKeyUUMZSBLXNFDJJI-UHFFFAOYSA-N
MW1278.58 g/mol
LogP24.67
Rot. Bonds15

About N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-3-[4-[3-(N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino)phenyl]-6-[3-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]aniline

N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-3-[4-[3-(N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino)phenyl]-6-[3-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]aniline (PubChem CID 134236787) has the molecular formula C93H63N7 and a molecular weight of 1278.58 g/mol. Its IUPAC name is N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-3-[4-[3-(N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino)phenyl]-6-[3-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]aniline.

Molecular Properties

Compound NameN-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-3-[4-[3-(N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino)phenyl]-6-[3-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]aniline
PubChem CID134236787
Molecular FormulaC93H63N7
Molecular Weight1278.58 g/mol
Exact Mass1277.51
IUPAC NameN-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-3-[4-[3-(N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino)phenyl]-6-[3-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]aniline
SMILESc1ccc(-c2ccccc2-c2cccc(-c3nc(-c4cccc(N(c5ccccc5)c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5)c4)nc(-c4cccc(N(c5ccccc5)c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5)c4)n3)c2)cc1
InChIInChI=1S/C93H63N7/c1-6-25-66(26-7-1)81-41-16-17-42-82(81)69-27-22-28-70(59-69)91-94-92(71-29-23-39-79(60-71)97(73-31-8-2-9-32-73)77-53-47-64(48-54-77)67-51-57-89-85(62-67)83-43-18-20-45-87(83)99(89)75-35-12-4-13-36-75)96-93(95-91)72-30-24-40-80(61-72)98(74-33-10-3-11-34-74)78-55-49-65(50-56-78)68-52-58-90-86(63-68)84-44-19-21-46-88(84)100(90)76-37-14-5-15-38-76/h1-63H
InChIKeyUUMZSBLXNFDJJI-UHFFFAOYSA-N
XLogP24.67
TPSA55.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms100
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001278.58
LogP ≤ 524.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-3-[4-[3-(N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino)phenyl]-6-[3-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]aniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-3-[4-[3-(N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino)phenyl]-6-[3-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]aniline?
The IUPAC name of N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-3-[4-[3-(N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino)phenyl]-6-[3-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]aniline (CID 134236787) is N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-3-[4-[3-(N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino)phenyl]-6-[3-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]aniline.
What is the SMILES notation for N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-3-[4-[3-(N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino)phenyl]-6-[3-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]aniline?
The canonical SMILES for N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-3-[4-[3-(N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino)phenyl]-6-[3-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]aniline is c1ccc(-c2ccccc2-c2cccc(-c3nc(-c4cccc(N(c5ccccc5)c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5)c4)nc(-c4cccc(N(c5ccccc5)c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5)c4)n3)c2)cc1.
What is the InChIKey of N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-3-[4-[3-(N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino)phenyl]-6-[3-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]aniline?
The InChIKey is UUMZSBLXNFDJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C93H63N7/c1-6-25-66(26-7-1)81-41-16-17-42-82(81)69-27-22-28-70(59-69)91-94-92(71-29-23-39-79(60-71)97(73-31-8-2-9-32-73)77-53-47-64(48-54-77)67-51-57-89-85(62-67)83-43-18-20-45-87(83)99(89)75-35-12-4-13-36-75)96-93(95-91)72-30-24-40-80(61-72)98(74-33-10-3-11-34-74)78-55-49-65(50-56-78)68-52-58-90-86(63-68)84-44-19-21-46-88(84)100(90)76-37-14-5-15-38-76/h1-63H.
What are the key properties of N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-3-[4-[3-(N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino)phenyl]-6-[3-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]aniline?
N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-3-[4-[3-(N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino)phenyl]-6-[3-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]aniline has a molecular weight of 1278.58 g/mol, XLogP of 24.67, 15 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-3-[4-[3-(N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino)phenyl]-6-[3-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]aniline is sourced from PubChem (CID 134236787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).