5-[4-(9-phenylcarbazol-2-yl)pteridin-2-yl]benzo[b]carbazole

C40H24N6 — CID 139361350

IUPAC5-[4-(9-phenylcarbazol-2-yl)pteridin-2-yl]benzo[b]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4nc(-n5c6ccccc6c6cc7ccccc7cc65)nc5nccnc45)cc32)cc1
InChIInChI=1S/C40H24N6/c1-2-12-28(13-3-1)45-33-16-8-6-14-29(33)31-19-18-27(24-35(31)45)37-38-39(42-21-20-41-38)44-40(43-37)46-34-17-9-7-15-30(34)32-22-25-10-4-5-11-26(25)23-36(32)46/h1-24H
InChIKeyXMSWDSOLOXRAEG-UHFFFAOYSA-N
MW588.67 g/mol
LogP9.43
Rot. Bonds3

About 5-[4-(9-phenylcarbazol-2-yl)pteridin-2-yl]benzo[b]carbazole

5-[4-(9-phenylcarbazol-2-yl)pteridin-2-yl]benzo[b]carbazole (PubChem CID 139361350) has the molecular formula C40H24N6 and a molecular weight of 588.67 g/mol. Its IUPAC name is 5-[4-(9-phenylcarbazol-2-yl)pteridin-2-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[4-(9-phenylcarbazol-2-yl)pteridin-2-yl]benzo[b]carbazole
PubChem CID139361350
Molecular FormulaC40H24N6
Molecular Weight588.67 g/mol
Exact Mass588.21
IUPAC Name5-[4-(9-phenylcarbazol-2-yl)pteridin-2-yl]benzo[b]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4nc(-n5c6ccccc6c6cc7ccccc7cc65)nc5nccnc45)cc32)cc1
InChIInChI=1S/C40H24N6/c1-2-12-28(13-3-1)45-33-16-8-6-14-29(33)31-19-18-27(24-35(31)45)37-38-39(42-21-20-41-38)44-40(43-37)46-34-17-9-7-15-30(34)32-22-25-10-4-5-11-26(25)23-36(32)46/h1-24H
InChIKeyXMSWDSOLOXRAEG-UHFFFAOYSA-N
XLogP9.43
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.67
LogP ≤ 59.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

12-[8-(9-phenylcarbazol-2-yl)quinoxalin-5-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 139362045
2-benzo[b]carbazol-5-yl-4-(9-phenylcarbazol-2-yl)-[1]benzothiolo[2,3-d]pyrimidine
CID 146391616
5-[5,5-dimethyl-4-(9-phenylcarbazol-2-yl)indeno[1,2-d]pyrimidin-2-yl]benzo[b]carbazole
CID 137433938
2-benzo[b]carbazol-5-yl-8-phenyl-4-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-d]pyrimidine
CID 146392233
5-[4-(9,9-dimethylfluoren-3-yl)pyrido[3,2-d]pyrimidin-2-yl]benzo[b]carbazole;5-(4-naphthalen-2-ylpteridin-2-yl)benzo[b]carbazole;5-(4-naphthalen-1-ylpyrido[2,3-d]pyrimidin-2-yl)benzo[b]carbazole;5-[4-(9-phenylcarbazol-3-yl)pyrido[3,2-d]pyrimidin-2-yl]benzo[b]carbazole
CID 162150281
9-benzo[b]carbazol-5-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole
CID 162481400
5-[3-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621945
4-phenyl-2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzo[h]quinazoline
CID 121402040
2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline
CID 121465327
2-benzo[b]carbazol-5-yl-4-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-d]pyrimidine
CID 146391980
5-(9-phenylcarbazol-2-yl)-7-(4-phenylpyrido[3,2-d]pyrimidin-2-yl)benzo[c]carbazole
CID 118637586
2-[9-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 162263267

Frequently Asked Questions

What is the IUPAC name of 5-[4-(9-phenylcarbazol-2-yl)pteridin-2-yl]benzo[b]carbazole?
The IUPAC name of 5-[4-(9-phenylcarbazol-2-yl)pteridin-2-yl]benzo[b]carbazole (CID 139361350) is 5-[4-(9-phenylcarbazol-2-yl)pteridin-2-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[4-(9-phenylcarbazol-2-yl)pteridin-2-yl]benzo[b]carbazole?
The canonical SMILES for 5-[4-(9-phenylcarbazol-2-yl)pteridin-2-yl]benzo[b]carbazole is c1ccc(-n2c3ccccc3c3ccc(-c4nc(-n5c6ccccc6c6cc7ccccc7cc65)nc5nccnc45)cc32)cc1.
What is the InChIKey of 5-[4-(9-phenylcarbazol-2-yl)pteridin-2-yl]benzo[b]carbazole?
The InChIKey is XMSWDSOLOXRAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N6/c1-2-12-28(13-3-1)45-33-16-8-6-14-29(33)31-19-18-27(24-35(31)45)37-38-39(42-21-20-41-38)44-40(43-37)46-34-17-9-7-15-30(34)32-22-25-10-4-5-11-26(25)23-36(32)46/h1-24H.
What are the key properties of 5-[4-(9-phenylcarbazol-2-yl)pteridin-2-yl]benzo[b]carbazole?
5-[4-(9-phenylcarbazol-2-yl)pteridin-2-yl]benzo[b]carbazole has a molecular weight of 588.67 g/mol, XLogP of 9.43, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(9-phenylcarbazol-2-yl)pteridin-2-yl]benzo[b]carbazole is sourced from PubChem (CID 139361350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).