9-(3-carbazol-9-yl-5-naphthalen-1-ylphenyl)carbazole;9-(3-carbazol-9-yl-5-naphthalen-2-ylphenyl)carbazole;9-(3-carbazol-9-yl-5-phenanthren-9-ylphenyl)carbazole

C124H80N6 — CID 160733324

IUPAC9-(3-carbazol-9-yl-5-naphthalen-1-ylphenyl)carbazole;9-(3-carbazol-9-yl-5-naphthalen-2-ylphenyl)carbazole;9-(3-carbazol-9-yl-5-phenanthren-9-ylphenyl)carbazole
SMILESc1ccc2c(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)cccc2c1.c1ccc2c(c1)cc(-c1cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c1)c1ccccc12.c1ccc2cc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)ccc2c1
InChIInChI=1S/C44H28N2.2C40H26N2/c1-2-14-33-29(13-1)27-40(35-16-4-3-15-34(33)35)30-25-31(45-41-21-9-5-17-36(41)37-18-6-10-22-42(37)45)28-32(26-30)46-43-23-11-7-19-38(43)39-20-8-12-24-44(39)46;1-2-14-31-27(12-1)13-11-19-32(31)28-24-29(41-37-20-7-3-15-33(37)34-16-4-8-21-38(34)41)26-30(25-28)42-39-22-9-5-17-35(39)36-18-6-10-23-40(36)42;1-2-12-28-23-29(22-21-27(28)11-1)30-24-31(41-37-17-7-3-13-33(37)34-14-4-8-18-38(34)41)26-32(25-30)42-39-19-9-5-15-35(39)36-16-6-10-20-40(36)42/h1-28H;2*1-26H
InChIKeyRUPZSISVLSOBKL-UHFFFAOYSA-N
MW1654.05 g/mol
LogP33.26
Rot. Bonds9

About 9-(3-carbazol-9-yl-5-naphthalen-1-ylphenyl)carbazole;9-(3-carbazol-9-yl-5-naphthalen-2-ylphenyl)carbazole;9-(3-carbazol-9-yl-5-phenanthren-9-ylphenyl)carbazole

9-(3-carbazol-9-yl-5-naphthalen-1-ylphenyl)carbazole;9-(3-carbazol-9-yl-5-naphthalen-2-ylphenyl)carbazole;9-(3-carbazol-9-yl-5-phenanthren-9-ylphenyl)carbazole (PubChem CID 160733324) has the molecular formula C124H80N6 and a molecular weight of 1654.05 g/mol. Its IUPAC name is 9-(3-carbazol-9-yl-5-naphthalen-1-ylphenyl)carbazole;9-(3-carbazol-9-yl-5-naphthalen-2-ylphenyl)carbazole;9-(3-carbazol-9-yl-5-phenanthren-9-ylphenyl)carbazole.

Molecular Properties

Compound Name9-(3-carbazol-9-yl-5-naphthalen-1-ylphenyl)carbazole;9-(3-carbazol-9-yl-5-naphthalen-2-ylphenyl)carbazole;9-(3-carbazol-9-yl-5-phenanthren-9-ylphenyl)carbazole
PubChem CID160733324
Molecular FormulaC124H80N6
Molecular Weight1654.05 g/mol
Exact Mass1652.64
IUPAC Name9-(3-carbazol-9-yl-5-naphthalen-1-ylphenyl)carbazole;9-(3-carbazol-9-yl-5-naphthalen-2-ylphenyl)carbazole;9-(3-carbazol-9-yl-5-phenanthren-9-ylphenyl)carbazole
SMILESc1ccc2c(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)cccc2c1.c1ccc2c(c1)cc(-c1cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c1)c1ccccc12.c1ccc2cc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)ccc2c1
InChIInChI=1S/C44H28N2.2C40H26N2/c1-2-14-33-29(13-1)27-40(35-16-4-3-15-34(33)35)30-25-31(45-41-21-9-5-17-36(41)37-18-6-10-22-42(37)45)28-32(26-30)46-43-23-11-7-19-38(43)39-20-8-12-24-44(39)46;1-2-14-31-27(12-1)13-11-19-32(31)28-24-29(41-37-20-7-3-15-33(37)34-16-4-8-21-38(34)41)26-30(25-28)42-39-22-9-5-17-35(39)36-18-6-10-23-40(36)42;1-2-12-28-23-29(22-21-27(28)11-1)30-24-31(41-37-17-7-3-13-33(37)34-14-4-8-18-38(34)41)26-32(25-30)42-39-19-9-5-15-35(39)36-16-6-10-20-40(36)42/h1-28H;2*1-26H
InChIKeyRUPZSISVLSOBKL-UHFFFAOYSA-N
XLogP33.26
TPSA29.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms130
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001654.05
LogP ≤ 533.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-[4-(3-carbazol-9-ylphenyl)phenyl]-N,4-bis(4-naphthalen-2-ylphenyl)aniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)-4-(4-phenylphenyl)aniline
CID 158562169
9-(4-naphthalen-1-ylphenyl)-3-(4-naphthalen-2-ylphenyl)carbazole
CID 177074694
9-[3-carbazol-9-yl-5-(4-carbazol-9-ylphenyl)phenyl]carbazole;9-(3-carbazol-9-yl-5-phenanthren-9-ylphenyl)carbazole;9-[3-(4-carbazol-9-ylphenyl)-5-(4-phenylphenyl)phenyl]carbazole;9-[4-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]-5-phenylphenyl]phenyl]carbazole
CID 159689143
3-[9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158169511
9-[4-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]-3-(4-naphthalen-1-ylphenyl)carbazole
CID 177074752
3-[3-[2-[9-(3,5-dinaphthalen-2-ylphenyl)carbazol-3-yl]phenyl]phenyl]-9-phenylcarbazole
CID 126764159
9-(3,5-diphenylphenyl)-14-naphthalen-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4-naphthalen-1-ylphenyl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4-naphthalen-2-ylphenyl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-naphthalen-2-yl-14-[3-(3-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 160704314
3-[3,5-di(phenanthren-9-yl)phenyl]-9-phenylcarbazole
CID 87167202
9-naphthalen-1-yl-3-(4-naphthalen-2-ylphenyl)carbazole;9-naphthalen-1-yl-3-(4-phenanthren-9-ylphenyl)carbazole
CID 160833485
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
4-(3-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 146578387
9-(4-naphthalen-1-ylphenyl)-3-(4-naphthalen-2-ylphenyl)-6-phenylcarbazole
CID 177074708

Frequently Asked Questions

What is the IUPAC name of 9-(3-carbazol-9-yl-5-naphthalen-1-ylphenyl)carbazole;9-(3-carbazol-9-yl-5-naphthalen-2-ylphenyl)carbazole;9-(3-carbazol-9-yl-5-phenanthren-9-ylphenyl)carbazole?
The IUPAC name of 9-(3-carbazol-9-yl-5-naphthalen-1-ylphenyl)carbazole;9-(3-carbazol-9-yl-5-naphthalen-2-ylphenyl)carbazole;9-(3-carbazol-9-yl-5-phenanthren-9-ylphenyl)carbazole (CID 160733324) is 9-(3-carbazol-9-yl-5-naphthalen-1-ylphenyl)carbazole;9-(3-carbazol-9-yl-5-naphthalen-2-ylphenyl)carbazole;9-(3-carbazol-9-yl-5-phenanthren-9-ylphenyl)carbazole.
What is the SMILES notation for 9-(3-carbazol-9-yl-5-naphthalen-1-ylphenyl)carbazole;9-(3-carbazol-9-yl-5-naphthalen-2-ylphenyl)carbazole;9-(3-carbazol-9-yl-5-phenanthren-9-ylphenyl)carbazole?
The canonical SMILES for 9-(3-carbazol-9-yl-5-naphthalen-1-ylphenyl)carbazole;9-(3-carbazol-9-yl-5-naphthalen-2-ylphenyl)carbazole;9-(3-carbazol-9-yl-5-phenanthren-9-ylphenyl)carbazole is c1ccc2c(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)cccc2c1.c1ccc2c(c1)cc(-c1cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c1)c1ccccc12.c1ccc2cc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)ccc2c1.
What is the InChIKey of 9-(3-carbazol-9-yl-5-naphthalen-1-ylphenyl)carbazole;9-(3-carbazol-9-yl-5-naphthalen-2-ylphenyl)carbazole;9-(3-carbazol-9-yl-5-phenanthren-9-ylphenyl)carbazole?
The InChIKey is RUPZSISVLSOBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N2.2C40H26N2/c1-2-14-33-29(13-1)27-40(35-16-4-3-15-34(33)35)30-25-31(45-41-21-9-5-17-36(41)37-18-6-10-22-42(37)45)28-32(26-30)46-43-23-11-7-19-38(43)39-20-8-12-24-44(39)46;1-2-14-31-27(12-1)13-11-19-32(31)28-24-29(41-37-20-7-3-15-33(37)34-16-4-8-21-38(34)41)26-30(25-28)42-39-22-9-5-17-35(39)36-18-6-10-23-40(36)42;1-2-12-28-23-29(22-21-27(28)11-1)30-24-31(41-37-17-7-3-13-33(37)34-14-4-8-18-38(34)41)26-32(25-30)42-39-19-9-5-15-35(39)36-16-6-10-20-40(36)42/h1-28H;2*1-26H.
What are the key properties of 9-(3-carbazol-9-yl-5-naphthalen-1-ylphenyl)carbazole;9-(3-carbazol-9-yl-5-naphthalen-2-ylphenyl)carbazole;9-(3-carbazol-9-yl-5-phenanthren-9-ylphenyl)carbazole?
9-(3-carbazol-9-yl-5-naphthalen-1-ylphenyl)carbazole;9-(3-carbazol-9-yl-5-naphthalen-2-ylphenyl)carbazole;9-(3-carbazol-9-yl-5-phenanthren-9-ylphenyl)carbazole has a molecular weight of 1654.05 g/mol, XLogP of 33.26, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-carbazol-9-yl-5-naphthalen-1-ylphenyl)carbazole;9-(3-carbazol-9-yl-5-naphthalen-2-ylphenyl)carbazole;9-(3-carbazol-9-yl-5-phenanthren-9-ylphenyl)carbazole is sourced from PubChem (CID 160733324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).