3,6-bis(9-phenylcarbazol-3-yl)-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole

C72H46N4 — CID 88863167

IUPAC3,6-bis(9-phenylcarbazol-3-yl)-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(-n5c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)cc4)ccc32)cc1
InChIInChI=1S/C72H46N4/c1-4-16-53(17-5-1)73-65-25-13-10-22-57(65)60-42-48(30-37-68(60)73)47-28-35-56(36-29-47)76-71-40-33-51(49-31-38-69-61(43-49)58-23-11-14-26-66(58)74(69)54-18-6-2-7-19-54)45-63(71)64-46-52(34-41-72(64)76)50-32-39-70-62(44-50)59-24-12-15-27-67(59)75(70)55-20-8-3-9-21-55/h1-46H
InChIKeyHAHQSDQASFDKRG-UHFFFAOYSA-N
MW967.19 g/mol
LogP19.08
Rot. Bonds7

About 3,6-bis(9-phenylcarbazol-3-yl)-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole

3,6-bis(9-phenylcarbazol-3-yl)-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole (PubChem CID 88863167) has the molecular formula C72H46N4 and a molecular weight of 967.19 g/mol. Its IUPAC name is 3,6-bis(9-phenylcarbazol-3-yl)-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole.

Molecular Properties

Compound Name3,6-bis(9-phenylcarbazol-3-yl)-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
PubChem CID88863167
Molecular FormulaC72H46N4
Molecular Weight967.19 g/mol
Exact Mass966.37
IUPAC Name3,6-bis(9-phenylcarbazol-3-yl)-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(-n5c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)cc4)ccc32)cc1
InChIInChI=1S/C72H46N4/c1-4-16-53(17-5-1)73-65-25-13-10-22-57(65)60-42-48(30-37-68(60)73)47-28-35-56(36-29-47)76-71-40-33-51(49-31-38-69-61(43-49)58-23-11-14-26-66(58)74(69)54-18-6-2-7-19-54)45-63(71)64-46-52(34-41-72(64)76)50-32-39-70-62(44-50)59-24-12-15-27-67(59)75(70)55-20-8-3-9-21-55/h1-46H
InChIKeyHAHQSDQASFDKRG-UHFFFAOYSA-N
XLogP19.08
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500967.19
LogP ≤ 519.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-bis(9-phenylcarbazol-3-yl)-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole?
The IUPAC name of 3,6-bis(9-phenylcarbazol-3-yl)-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole (CID 88863167) is 3,6-bis(9-phenylcarbazol-3-yl)-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole.
What is the SMILES notation for 3,6-bis(9-phenylcarbazol-3-yl)-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole?
The canonical SMILES for 3,6-bis(9-phenylcarbazol-3-yl)-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc(-n5c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)cc4)ccc32)cc1.
What is the InChIKey of 3,6-bis(9-phenylcarbazol-3-yl)-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole?
The InChIKey is HAHQSDQASFDKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H46N4/c1-4-16-53(17-5-1)73-65-25-13-10-22-57(65)60-42-48(30-37-68(60)73)47-28-35-56(36-29-47)76-71-40-33-51(49-31-38-69-61(43-49)58-23-11-14-26-66(58)74(69)54-18-6-2-7-19-54)45-63(71)64-46-52(34-41-72(64)76)50-32-39-70-62(44-50)59-24-12-15-27-67(59)75(70)55-20-8-3-9-21-55/h1-46H.
What are the key properties of 3,6-bis(9-phenylcarbazol-3-yl)-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole?
3,6-bis(9-phenylcarbazol-3-yl)-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole has a molecular weight of 967.19 g/mol, XLogP of 19.08, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(9-phenylcarbazol-3-yl)-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole is sourced from PubChem (CID 88863167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).