3,9-bis(2-naphthalen-2-yl-4-pyridinyl)-5,11-diphenylindolo[3,2-b]carbazole

C60H38N4 — CID 147270263

IUPAC3,9-bis(2-naphthalen-2-yl-4-pyridinyl)-5,11-diphenylindolo[3,2-b]carbazole
SMILESc1ccc(-n2c3cc(-c4ccnc(-c5ccc6ccccc6c5)c4)ccc3c3cc4c(cc32)c2ccc(-c3ccnc(-c5ccc6ccccc6c5)c3)cc2n4-c2ccccc2)cc1
InChIInChI=1S/C60H38N4/c1-3-15-49(16-4-1)63-57-35-43(45-27-29-61-55(33-45)47-21-19-39-11-7-9-13-41(39)31-47)23-25-51(57)53-38-60-54(37-59(53)63)52-26-24-44(36-58(52)64(60)50-17-5-2-6-18-50)46-28-30-62-56(34-46)48-22-20-40-12-8-10-14-42(40)32-48/h1-38H
InChIKeyCQGYOZLEAGJNGS-UHFFFAOYSA-N
MW814.99 g/mol
LogP15.65
Rot. Bonds6

About 3,9-bis(2-naphthalen-2-yl-4-pyridinyl)-5,11-diphenylindolo[3,2-b]carbazole

3,9-bis(2-naphthalen-2-yl-4-pyridinyl)-5,11-diphenylindolo[3,2-b]carbazole (PubChem CID 147270263) has the molecular formula C60H38N4 and a molecular weight of 814.99 g/mol. Its IUPAC name is 3,9-bis(2-naphthalen-2-yl-4-pyridinyl)-5,11-diphenylindolo[3,2-b]carbazole.

Molecular Properties

Compound Name3,9-bis(2-naphthalen-2-yl-4-pyridinyl)-5,11-diphenylindolo[3,2-b]carbazole
PubChem CID147270263
Molecular FormulaC60H38N4
Molecular Weight814.99 g/mol
Exact Mass814.31
IUPAC Name3,9-bis(2-naphthalen-2-yl-4-pyridinyl)-5,11-diphenylindolo[3,2-b]carbazole
SMILESc1ccc(-n2c3cc(-c4ccnc(-c5ccc6ccccc6c5)c4)ccc3c3cc4c(cc32)c2ccc(-c3ccnc(-c5ccc6ccccc6c5)c3)cc2n4-c2ccccc2)cc1
InChIInChI=1S/C60H38N4/c1-3-15-49(16-4-1)63-57-35-43(45-27-29-61-55(33-45)47-21-19-39-11-7-9-13-41(39)31-47)23-25-51(57)53-38-60-54(37-59(53)63)52-26-24-44(36-58(52)64(60)50-17-5-2-6-18-50)46-28-30-62-56(34-46)48-22-20-40-12-8-10-14-42(40)32-48/h1-38H
InChIKeyCQGYOZLEAGJNGS-UHFFFAOYSA-N
XLogP15.65
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500814.99
LogP ≤ 515.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-naphthalen-2-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 121262529
11-(3-naphthalen-2-ylphenyl)-5-phenylindolo[3,2-b]carbazole
CID 167157338
2-[4-(4-phenylphenyl)-2-pyridinyl]-9-(3-pyridin-2-ylphenyl)carbazole
CID 140825608
11-phenyl-9-pyridin-2-yl-3-(6-pyridin-4-ylnaphthalen-2-yl)benzo[a]carbazole
CID 163515098
3-[2-[4-(4-carbazol-9-ylphenyl)-2-pyridinyl]-4-pyridinyl]-9-phenylcarbazole
CID 130326868
3,6-bis(6-naphthalen-2-yl-2-pyridinyl)-9-phenylcarbazole
CID 163724043
3-[4-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]-9-phenylcarbazole
CID 118919603
7-naphthalen-2-yl-N,N,9-triphenylcarbazol-2-amine
CID 146573850
6-[9-(6-naphthalen-1-ylnaphthalen-2-yl)carbazol-3-yl]-2-[9-(6-naphthalen-2-ylnaphthalen-2-yl)-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole
CID 137420566
3-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 118231204
7,10-dinaphthalen-2-yl-3-[3-[3-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129064130
8-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)pyrimidin-4-yl]-5-phenylpyrido[4,3-b]indole
CID 118968803

Frequently Asked Questions

What is the IUPAC name of 3,9-bis(2-naphthalen-2-yl-4-pyridinyl)-5,11-diphenylindolo[3,2-b]carbazole?
The IUPAC name of 3,9-bis(2-naphthalen-2-yl-4-pyridinyl)-5,11-diphenylindolo[3,2-b]carbazole (CID 147270263) is 3,9-bis(2-naphthalen-2-yl-4-pyridinyl)-5,11-diphenylindolo[3,2-b]carbazole.
What is the SMILES notation for 3,9-bis(2-naphthalen-2-yl-4-pyridinyl)-5,11-diphenylindolo[3,2-b]carbazole?
The canonical SMILES for 3,9-bis(2-naphthalen-2-yl-4-pyridinyl)-5,11-diphenylindolo[3,2-b]carbazole is c1ccc(-n2c3cc(-c4ccnc(-c5ccc6ccccc6c5)c4)ccc3c3cc4c(cc32)c2ccc(-c3ccnc(-c5ccc6ccccc6c5)c3)cc2n4-c2ccccc2)cc1.
What is the InChIKey of 3,9-bis(2-naphthalen-2-yl-4-pyridinyl)-5,11-diphenylindolo[3,2-b]carbazole?
The InChIKey is CQGYOZLEAGJNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38N4/c1-3-15-49(16-4-1)63-57-35-43(45-27-29-61-55(33-45)47-21-19-39-11-7-9-13-41(39)31-47)23-25-51(57)53-38-60-54(37-59(53)63)52-26-24-44(36-58(52)64(60)50-17-5-2-6-18-50)46-28-30-62-56(34-46)48-22-20-40-12-8-10-14-42(40)32-48/h1-38H.
What are the key properties of 3,9-bis(2-naphthalen-2-yl-4-pyridinyl)-5,11-diphenylindolo[3,2-b]carbazole?
3,9-bis(2-naphthalen-2-yl-4-pyridinyl)-5,11-diphenylindolo[3,2-b]carbazole has a molecular weight of 814.99 g/mol, XLogP of 15.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-bis(2-naphthalen-2-yl-4-pyridinyl)-5,11-diphenylindolo[3,2-b]carbazole is sourced from PubChem (CID 147270263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).