3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;9-naphthalen-1-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole

C84H54N4 — CID 160549221

IUPAC3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;9-naphthalen-1-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5ccccc5c4)ccc32)cc1.c1ccc2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6ccccc56)ccc43)ccc2c1
InChIInChI=1S/C44H28N2.C40H26N2/c1-2-12-31-26-34(23-20-29(31)10-1)45-41-17-7-5-15-36(41)38-27-32(21-24-43(38)45)33-22-25-44-39(28-33)37-16-6-8-18-42(37)46(44)40-19-9-13-30-11-3-4-14-35(30)40;1-2-12-31(13-3-1)41-37-16-8-6-14-33(37)35-25-29(19-22-39(35)41)30-20-23-40-36(26-30)34-15-7-9-17-38(34)42(40)32-21-18-27-10-4-5-11-28(27)24-32/h1-28H;1-26H
InChIKeyQXVJTMYYZQDSDA-UHFFFAOYSA-N
MW1119.38 g/mol
LogP22.56
Rot. Bonds6

About 3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;9-naphthalen-1-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole

3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;9-naphthalen-1-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole (PubChem CID 160549221) has the molecular formula C84H54N4 and a molecular weight of 1119.38 g/mol. Its IUPAC name is 3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;9-naphthalen-1-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole.

Molecular Properties

Compound Name3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;9-naphthalen-1-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
PubChem CID160549221
Molecular FormulaC84H54N4
Molecular Weight1119.38 g/mol
Exact Mass1118.43
IUPAC Name3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;9-naphthalen-1-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5ccccc5c4)ccc32)cc1.c1ccc2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6ccccc56)ccc43)ccc2c1
InChIInChI=1S/C44H28N2.C40H26N2/c1-2-12-31-26-34(23-20-29(31)10-1)45-41-17-7-5-15-36(41)38-27-32(21-24-43(38)45)33-22-25-44-39(28-33)37-16-6-8-18-42(37)46(44)40-19-9-13-30-11-3-4-14-35(30)40;1-2-12-31(13-3-1)41-37-16-8-6-14-33(37)35-25-29(19-22-39(35)41)30-20-23-40-36(26-30)34-15-7-9-17-38(34)42(40)32-21-18-27-10-4-5-11-28(27)24-32/h1-28H;1-26H
InChIKeyQXVJTMYYZQDSDA-UHFFFAOYSA-N
XLogP22.56
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001119.38
LogP ≤ 522.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(9-naphthalen-1-ylcarbazol-3-yl)-9-phenylcarbazole;9-naphthalen-1-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole;9-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
CID 159472470
9-naphthalen-1-yl-3-(9-naphthalen-1-ylcarbazol-3-yl)carbazole;9-naphthalen-1-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole;9-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
CID 164975300
5-naphthalen-1-yl-2-(9-naphthalen-2-ylcarbazol-3-yl)-7-(4-phenylphenyl)indolo[2,3-b]carbazole;5-naphthalen-1-yl-7-naphthalen-2-yl-2-(9-naphthalen-2-ylcarbazol-3-yl)indolo[2,3-b]carbazole
CID 160638054
3-[4-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]-9-phenylcarbazole;7-naphthalen-1-yl-10-(9-naphthalen-2-ylcarbazol-2-yl)benzo[c]carbazole;9-naphthalen-1-yl-2-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
CID 157495680
3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 159733846
3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 118919659
3-[3-[3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]phenyl]-9-phenylcarbazole
CID 126764146
3-[4-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-9-phenylcarbazole
CID 126764142
9,14-dinaphthalen-1-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;9,14-dinaphthalen-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;5-phenyl-9,14-bis(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;5-phenyl-9-(3-phenylphenyl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 162237950
3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 164948724
3-[9-(4-naphthalen-2-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(6-naphthalen-1-ylnaphthalen-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 159264413
3-[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole
CID 162264966

Frequently Asked Questions

What is the IUPAC name of 3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;9-naphthalen-1-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole?
The IUPAC name of 3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;9-naphthalen-1-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole (CID 160549221) is 3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;9-naphthalen-1-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole.
What is the SMILES notation for 3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;9-naphthalen-1-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole?
The canonical SMILES for 3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;9-naphthalen-1-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5ccccc5c4)ccc32)cc1.c1ccc2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6ccccc56)ccc43)ccc2c1.
What is the InChIKey of 3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;9-naphthalen-1-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole?
The InChIKey is QXVJTMYYZQDSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N2.C40H26N2/c1-2-12-31-26-34(23-20-29(31)10-1)45-41-17-7-5-15-36(41)38-27-32(21-24-43(38)45)33-22-25-44-39(28-33)37-16-6-8-18-42(37)46(44)40-19-9-13-30-11-3-4-14-35(30)40;1-2-12-31(13-3-1)41-37-16-8-6-14-33(37)35-25-29(19-22-39(35)41)30-20-23-40-36(26-30)34-15-7-9-17-38(34)42(40)32-21-18-27-10-4-5-11-28(27)24-32/h1-28H;1-26H.
What are the key properties of 3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;9-naphthalen-1-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole?
3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;9-naphthalen-1-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole has a molecular weight of 1119.38 g/mol, XLogP of 22.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;9-naphthalen-1-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole is sourced from PubChem (CID 160549221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).