3-N,3-N,6-N,6-N-tetraphenyl-9-(2-phenylpyrimidin-5-yl)carbazole-3,6-diamine

C46H33N5 — CID 135252762

IUPAC3-N,3-N,6-N,6-N-tetraphenyl-9-(2-phenylpyrimidin-5-yl)carbazole-3,6-diamine
SMILESc1ccc(-c2ncc(-n3c4ccc(N(c5ccccc5)c5ccccc5)cc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)cn2)cc1
InChIInChI=1S/C46H33N5/c1-6-16-34(17-7-1)46-47-32-41(33-48-46)51-44-28-26-39(49(35-18-8-2-9-19-35)36-20-10-3-11-21-36)30-42(44)43-31-40(27-29-45(43)51)50(37-22-12-4-13-23-37)38-24-14-5-15-25-38/h1-33H
InChIKeyUPLPGMCFTKMOAN-UHFFFAOYSA-N
MW655.81 g/mol
LogP12.18
Rot. Bonds8

About 3-N,3-N,6-N,6-N-tetraphenyl-9-(2-phenylpyrimidin-5-yl)carbazole-3,6-diamine

3-N,3-N,6-N,6-N-tetraphenyl-9-(2-phenylpyrimidin-5-yl)carbazole-3,6-diamine (PubChem CID 135252762) has the molecular formula C46H33N5 and a molecular weight of 655.81 g/mol. Its IUPAC name is 3-N,3-N,6-N,6-N-tetraphenyl-9-(2-phenylpyrimidin-5-yl)carbazole-3,6-diamine.

Molecular Properties

Compound Name3-N,3-N,6-N,6-N-tetraphenyl-9-(2-phenylpyrimidin-5-yl)carbazole-3,6-diamine
PubChem CID135252762
Molecular FormulaC46H33N5
Molecular Weight655.81 g/mol
Exact Mass655.27
IUPAC Name3-N,3-N,6-N,6-N-tetraphenyl-9-(2-phenylpyrimidin-5-yl)carbazole-3,6-diamine
SMILESc1ccc(-c2ncc(-n3c4ccc(N(c5ccccc5)c5ccccc5)cc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)cn2)cc1
InChIInChI=1S/C46H33N5/c1-6-16-34(17-7-1)46-47-32-41(33-48-46)51-44-28-26-39(49(35-18-8-2-9-19-35)36-20-10-3-11-21-36)30-42(44)43-31-40(27-29-45(43)51)50(37-22-12-4-13-23-37)38-24-14-5-15-25-38/h1-33H
InChIKeyUPLPGMCFTKMOAN-UHFFFAOYSA-N
XLogP12.18
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.81
LogP ≤ 512.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-N,3-N,6-N,6-N-tetraphenyl-9-(6-phenyl-3-pyridinyl)carbazole-3,6-diamine
CID 130353166
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
CID 90211166
N-[2-(5-carbazol-9-ylpyrimidin-2-yl)pyrimidin-5-yl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 163795809
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,5-dimethylphenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
CID 118630106
N-(4-carbazol-9-ylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 129061469
N,9-diphenyl-N-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine;1-N,1-N,4-N-triphenyl-4-N-[4-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]benzene-1,4-diamine
CID 159618005
3-N,6-N,9-triphenyl-3-N,6-N-bis[5-(N-phenylanilino)-2-pyridinyl]carbazole-3,6-diamine
CID 59844205
N,N-diphenyl-9-[4-[3-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-5-pyrimidin-2-ylphenyl]phenyl]carbazol-3-amine
CID 130353343
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methylphenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
CID 118630101
N,9-diphenyl-N-[4-(3-phenylpyrazin-2-yl)phenyl]carbazol-3-amine
CID 58921964
9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 58651963
N-phenyl-4-(4-phenylphenyl)-N-[4-[6-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]aniline
CID 122524703

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N,6-N,6-N-tetraphenyl-9-(2-phenylpyrimidin-5-yl)carbazole-3,6-diamine?
The IUPAC name of 3-N,3-N,6-N,6-N-tetraphenyl-9-(2-phenylpyrimidin-5-yl)carbazole-3,6-diamine (CID 135252762) is 3-N,3-N,6-N,6-N-tetraphenyl-9-(2-phenylpyrimidin-5-yl)carbazole-3,6-diamine.
What is the SMILES notation for 3-N,3-N,6-N,6-N-tetraphenyl-9-(2-phenylpyrimidin-5-yl)carbazole-3,6-diamine?
The canonical SMILES for 3-N,3-N,6-N,6-N-tetraphenyl-9-(2-phenylpyrimidin-5-yl)carbazole-3,6-diamine is c1ccc(-c2ncc(-n3c4ccc(N(c5ccccc5)c5ccccc5)cc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)cn2)cc1.
What is the InChIKey of 3-N,3-N,6-N,6-N-tetraphenyl-9-(2-phenylpyrimidin-5-yl)carbazole-3,6-diamine?
The InChIKey is UPLPGMCFTKMOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H33N5/c1-6-16-34(17-7-1)46-47-32-41(33-48-46)51-44-28-26-39(49(35-18-8-2-9-19-35)36-20-10-3-11-21-36)30-42(44)43-31-40(27-29-45(43)51)50(37-22-12-4-13-23-37)38-24-14-5-15-25-38/h1-33H.
What are the key properties of 3-N,3-N,6-N,6-N-tetraphenyl-9-(2-phenylpyrimidin-5-yl)carbazole-3,6-diamine?
3-N,3-N,6-N,6-N-tetraphenyl-9-(2-phenylpyrimidin-5-yl)carbazole-3,6-diamine has a molecular weight of 655.81 g/mol, XLogP of 12.18, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N,6-N,6-N-tetraphenyl-9-(2-phenylpyrimidin-5-yl)carbazole-3,6-diamine is sourced from PubChem (CID 135252762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).