9-naphthalen-1-yl-3-(4-naphthalen-1-ylphenyl)carbazole;3-(3-phenanthren-9-ylphenyl)-9-phenylcarbazole;9-phenyl-3-(3-triphenylen-2-ylphenyl)carbazole

C118H77N3 — CID 159394605

IUPAC9-naphthalen-1-yl-3-(4-naphthalen-1-ylphenyl)carbazole;3-(3-phenanthren-9-ylphenyl)-9-phenylcarbazole;9-phenyl-3-(3-triphenylen-2-ylphenyl)carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5cc6ccccc6c6ccccc56)c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)ccc32)cc1.c1ccc2c(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5ccccc45)cc3)cccc2c1
InChIInChI=1S/C42H27N.2C38H25N/c1-2-13-32(14-3-1)43-41-20-9-8-19-38(41)40-27-31(22-24-42(40)43)29-12-10-11-28(25-29)30-21-23-37-35-17-5-4-15-33(35)34-16-6-7-18-36(34)39(37)26-30;1-3-13-31-27(9-1)11-7-16-32(31)29-21-19-26(20-22-29)30-23-24-38-35(25-30)34-15-5-6-17-37(34)39(38)36-18-8-12-28-10-2-4-14-33(28)36;1-2-14-30(15-3-1)39-37-20-9-8-19-34(37)36-24-27(21-22-38(36)39)26-12-10-13-28(23-26)35-25-29-11-4-5-16-31(29)32-17-6-7-18-33(32)35/h1-27H;2*1-25H
InChIKeyLMNZWOHXQDKQDF-UHFFFAOYSA-N
MW1536.94 g/mol
LogP32.43
Rot. Bonds9

About 9-naphthalen-1-yl-3-(4-naphthalen-1-ylphenyl)carbazole;3-(3-phenanthren-9-ylphenyl)-9-phenylcarbazole;9-phenyl-3-(3-triphenylen-2-ylphenyl)carbazole

9-naphthalen-1-yl-3-(4-naphthalen-1-ylphenyl)carbazole;3-(3-phenanthren-9-ylphenyl)-9-phenylcarbazole;9-phenyl-3-(3-triphenylen-2-ylphenyl)carbazole (PubChem CID 159394605) has the molecular formula C118H77N3 and a molecular weight of 1536.94 g/mol. Its IUPAC name is 9-naphthalen-1-yl-3-(4-naphthalen-1-ylphenyl)carbazole;3-(3-phenanthren-9-ylphenyl)-9-phenylcarbazole;9-phenyl-3-(3-triphenylen-2-ylphenyl)carbazole.

Molecular Properties

Compound Name9-naphthalen-1-yl-3-(4-naphthalen-1-ylphenyl)carbazole;3-(3-phenanthren-9-ylphenyl)-9-phenylcarbazole;9-phenyl-3-(3-triphenylen-2-ylphenyl)carbazole
PubChem CID159394605
Molecular FormulaC118H77N3
Molecular Weight1536.94 g/mol
Exact Mass1535.61
IUPAC Name9-naphthalen-1-yl-3-(4-naphthalen-1-ylphenyl)carbazole;3-(3-phenanthren-9-ylphenyl)-9-phenylcarbazole;9-phenyl-3-(3-triphenylen-2-ylphenyl)carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5cc6ccccc6c6ccccc56)c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)ccc32)cc1.c1ccc2c(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5ccccc45)cc3)cccc2c1
InChIInChI=1S/C42H27N.2C38H25N/c1-2-13-32(14-3-1)43-41-20-9-8-19-38(41)40-27-31(22-24-42(40)43)29-12-10-11-28(25-29)30-21-23-37-35-17-5-4-15-33(35)34-16-6-7-18-36(34)39(37)26-30;1-3-13-31-27(9-1)11-7-16-32(31)29-21-19-26(20-22-29)30-23-24-38-35(25-30)34-15-5-6-17-37(34)39(38)36-18-8-12-28-10-2-4-14-33(28)36;1-2-14-30(15-3-1)39-37-20-9-8-19-34(37)36-24-27(21-22-38(36)39)26-12-10-13-28(23-26)35-25-29-11-4-5-16-31(29)32-17-6-7-18-33(32)35/h1-27H;2*1-25H
InChIKeyLMNZWOHXQDKQDF-UHFFFAOYSA-N
XLogP32.43
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms121
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001536.94
LogP ≤ 532.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,6-dinaphthalen-1-yl-9-[3-(9-phenylcarbazol-2-yl)phenyl]carbazole;3,6-diphenyl-9-[3-(9-phenylcarbazol-2-yl)phenyl]carbazole;3,6-diphenyl-9-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]carbazole;9-[3-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]-3,6-diphenylcarbazole
CID 159018635
9-naphthalen-1-yl-3-(3-naphthalen-1-ylphenyl)carbazole;9-naphthalen-1-yl-3-(3-naphthalen-2-ylphenyl)carbazole;9-naphthalen-1-yl-3-(4-triphenylen-2-ylphenyl)carbazole
CID 158894954
9-naphthalen-1-yl-3-(9-phenylcarbazol-3-yl)-5-(3-phenylphenyl)carbazole
CID 134369784
9-naphthalen-1-yl-3-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]carbazole;3-(10-phenylanthracen-9-yl)-9-triphenylen-2-ylcarbazole;3-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]-9-triphenylen-2-ylcarbazole;3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-triphenylen-2-ylcarbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 159727733
3-[9-(3-naphthalen-1-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole
CID 159858070
2-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 142356851
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3-(7,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3-(6,9-diphenylcarbazol-3-yl)-6-naphthalen-1-yl-9-phenylcarbazole
CID 157256815
11-[3,5-bis(4-phenylphenyl)phenyl]-5-phenylindolo[3,2-b]carbazole;5-(3,5-diphenylphenyl)-2,11-diphenylindolo[3,2-b]carbazole;11-(3,5-diphenylphenyl)-5-naphthalen-1-ylindolo[3,2-b]carbazole
CID 158931818
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(2-phenylphenyl)carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylphenyl)phenyl]carbazole;9-phenyl-6-(9-phenylcarbazol-3-yl)-2-(3-phenylphenyl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;9-[4-(3-phenylphenyl)phenyl]-3-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazole
CID 158933707
3-[2-[2-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-9-phenylcarbazole
CID 126764137
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-(9-phenylcarbazol-3-yl)-9-[2-[3-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590325

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-1-yl-3-(4-naphthalen-1-ylphenyl)carbazole;3-(3-phenanthren-9-ylphenyl)-9-phenylcarbazole;9-phenyl-3-(3-triphenylen-2-ylphenyl)carbazole?
The IUPAC name of 9-naphthalen-1-yl-3-(4-naphthalen-1-ylphenyl)carbazole;3-(3-phenanthren-9-ylphenyl)-9-phenylcarbazole;9-phenyl-3-(3-triphenylen-2-ylphenyl)carbazole (CID 159394605) is 9-naphthalen-1-yl-3-(4-naphthalen-1-ylphenyl)carbazole;3-(3-phenanthren-9-ylphenyl)-9-phenylcarbazole;9-phenyl-3-(3-triphenylen-2-ylphenyl)carbazole.
What is the SMILES notation for 9-naphthalen-1-yl-3-(4-naphthalen-1-ylphenyl)carbazole;3-(3-phenanthren-9-ylphenyl)-9-phenylcarbazole;9-phenyl-3-(3-triphenylen-2-ylphenyl)carbazole?
The canonical SMILES for 9-naphthalen-1-yl-3-(4-naphthalen-1-ylphenyl)carbazole;3-(3-phenanthren-9-ylphenyl)-9-phenylcarbazole;9-phenyl-3-(3-triphenylen-2-ylphenyl)carbazole is c1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5cc6ccccc6c6ccccc56)c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)ccc32)cc1.c1ccc2c(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5ccccc45)cc3)cccc2c1.
What is the InChIKey of 9-naphthalen-1-yl-3-(4-naphthalen-1-ylphenyl)carbazole;3-(3-phenanthren-9-ylphenyl)-9-phenylcarbazole;9-phenyl-3-(3-triphenylen-2-ylphenyl)carbazole?
The InChIKey is LMNZWOHXQDKQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N.2C38H25N/c1-2-13-32(14-3-1)43-41-20-9-8-19-38(41)40-27-31(22-24-42(40)43)29-12-10-11-28(25-29)30-21-23-37-35-17-5-4-15-33(35)34-16-6-7-18-36(34)39(37)26-30;1-3-13-31-27(9-1)11-7-16-32(31)29-21-19-26(20-22-29)30-23-24-38-35(25-30)34-15-5-6-17-37(34)39(38)36-18-8-12-28-10-2-4-14-33(28)36;1-2-14-30(15-3-1)39-37-20-9-8-19-34(37)36-24-27(21-22-38(36)39)26-12-10-13-28(23-26)35-25-29-11-4-5-16-31(29)32-17-6-7-18-33(32)35/h1-27H;2*1-25H.
What are the key properties of 9-naphthalen-1-yl-3-(4-naphthalen-1-ylphenyl)carbazole;3-(3-phenanthren-9-ylphenyl)-9-phenylcarbazole;9-phenyl-3-(3-triphenylen-2-ylphenyl)carbazole?
9-naphthalen-1-yl-3-(4-naphthalen-1-ylphenyl)carbazole;3-(3-phenanthren-9-ylphenyl)-9-phenylcarbazole;9-phenyl-3-(3-triphenylen-2-ylphenyl)carbazole has a molecular weight of 1536.94 g/mol, XLogP of 32.43, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-naphthalen-1-yl-3-(4-naphthalen-1-ylphenyl)carbazole;3-(3-phenanthren-9-ylphenyl)-9-phenylcarbazole;9-phenyl-3-(3-triphenylen-2-ylphenyl)carbazole is sourced from PubChem (CID 159394605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).