9-[3-[6-(4-methylphenyl)pyren-1-yl]phenyl]carbazole;9-[4-(8-naphthalen-2-ylpyren-1-yl)phenyl]carbazole;9-[3-(6-phenylpyren-1-yl)phenyl]carbazole

C125H79N3 — CID 160792996

IUPAC9-[3-[6-(4-methylphenyl)pyren-1-yl]phenyl]carbazole;9-[4-(8-naphthalen-2-ylpyren-1-yl)phenyl]carbazole;9-[3-(6-phenylpyren-1-yl)phenyl]carbazole
SMILESCc1ccc(-c2ccc3ccc4c(-c5cccc(-n6c7ccccc7c7ccccc76)c5)ccc5ccc2c3c54)cc1.c1ccc(-c2ccc3ccc4c(-c5cccc(-n6c7ccccc7c7ccccc76)c5)ccc5ccc2c3c54)cc1.c1ccc2cc(-c3ccc4ccc5ccc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)c6ccc3c4c56)ccc2c1
InChIInChI=1S/C44H27N.C41H27N.C40H25N/c1-2-8-32-27-33(16-13-28(32)7-1)36-24-20-31-15-14-30-19-23-35(39-25-26-40(36)44(31)43(30)39)29-17-21-34(22-18-29)45-41-11-5-3-9-37(41)38-10-4-6-12-42(38)45;1-26-13-15-27(16-14-26)32-21-17-28-20-24-37-33(22-18-29-19-23-36(32)40(28)41(29)37)30-7-6-8-31(25-30)42-38-11-4-2-9-34(38)35-10-3-5-12-39(35)42;1-2-9-26(10-3-1)31-21-17-27-20-24-36-32(22-18-28-19-23-35(31)39(27)40(28)36)29-11-8-12-30(25-29)41-37-15-6-4-13-33(37)34-14-5-7-16-38(34)41/h1-27H;2-25H,1H3;1-25H
InChIKeySCBKHOGGBQGXST-UHFFFAOYSA-N
MW1623.03 g/mol
LogP34.51
Rot. Bonds9

About 9-[3-[6-(4-methylphenyl)pyren-1-yl]phenyl]carbazole;9-[4-(8-naphthalen-2-ylpyren-1-yl)phenyl]carbazole;9-[3-(6-phenylpyren-1-yl)phenyl]carbazole

9-[3-[6-(4-methylphenyl)pyren-1-yl]phenyl]carbazole;9-[4-(8-naphthalen-2-ylpyren-1-yl)phenyl]carbazole;9-[3-(6-phenylpyren-1-yl)phenyl]carbazole (PubChem CID 160792996) has the molecular formula C125H79N3 and a molecular weight of 1623.03 g/mol. Its IUPAC name is 9-[3-[6-(4-methylphenyl)pyren-1-yl]phenyl]carbazole;9-[4-(8-naphthalen-2-ylpyren-1-yl)phenyl]carbazole;9-[3-(6-phenylpyren-1-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-[3-[6-(4-methylphenyl)pyren-1-yl]phenyl]carbazole;9-[4-(8-naphthalen-2-ylpyren-1-yl)phenyl]carbazole;9-[3-(6-phenylpyren-1-yl)phenyl]carbazole
PubChem CID160792996
Molecular FormulaC125H79N3
Molecular Weight1623.03 g/mol
Exact Mass1621.63
IUPAC Name9-[3-[6-(4-methylphenyl)pyren-1-yl]phenyl]carbazole;9-[4-(8-naphthalen-2-ylpyren-1-yl)phenyl]carbazole;9-[3-(6-phenylpyren-1-yl)phenyl]carbazole
SMILESCc1ccc(-c2ccc3ccc4c(-c5cccc(-n6c7ccccc7c7ccccc76)c5)ccc5ccc2c3c54)cc1.c1ccc(-c2ccc3ccc4c(-c5cccc(-n6c7ccccc7c7ccccc76)c5)ccc5ccc2c3c54)cc1.c1ccc2cc(-c3ccc4ccc5ccc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)c6ccc3c4c56)ccc2c1
InChIInChI=1S/C44H27N.C41H27N.C40H25N/c1-2-8-32-27-33(16-13-28(32)7-1)36-24-20-31-15-14-30-19-23-35(39-25-26-40(36)44(31)43(30)39)29-17-21-34(22-18-29)45-41-11-5-3-9-37(41)38-10-4-6-12-42(38)45;1-26-13-15-27(16-14-26)32-21-17-28-20-24-37-33(22-18-29-19-23-36(32)40(28)41(29)37)30-7-6-8-31(25-30)42-38-11-4-2-9-34(38)35-10-3-5-12-39(35)42;1-2-9-26(10-3-1)31-21-17-27-20-24-36-32(22-18-28-19-23-35(31)39(27)40(28)36)29-11-8-12-30(25-29)41-37-15-6-4-13-33(37)34-14-5-7-16-38(34)41/h1-27H;2-25H,1H3;1-25H
InChIKeySCBKHOGGBQGXST-UHFFFAOYSA-N
XLogP34.51
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms128
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001623.03
LogP ≤ 534.51
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

9-[3-[6-(3-carbazol-9-ylphenyl)pyren-1-yl]phenyl]carbazole
CID 172537457
9-[3-[3,8-bis(3-carbazol-9-ylphenyl)pyren-1-yl]phenyl]carbazole;9-[4-[3,8-bis(4-carbazol-9-ylphenyl)pyren-1-yl]phenyl]carbazole;9-[3-[6-(3-carbazol-9-ylphenyl)-3-naphthalen-1-ylpyren-1-yl]phenyl]carbazole
CID 158821382
7-phenyl-5-[3-[6-(3-phenylphenyl)pyren-1-yl]phenyl]indolo[2,3-b]carbazole
CID 176780561
2-methyl-9-[3-[6-(4-methylphenyl)pyren-1-yl]phenyl]carbazole;3-(4-methylphenyl)-9-[3-[3-(4-methylphenyl)carbazol-9-yl]-5-(6-phenylpyren-1-yl)phenyl]carbazole;9-[3-[6-(4-methylphenyl)pyren-1-yl]-5-phenylphenyl]-3,6-diphenylcarbazole
CID 159747210
9-phenyl-2-[6-(9-phenylcarbazol-2-yl)pyren-1-yl]carbazole
CID 139341260
11-(3-naphthalen-2-ylphenyl)-5-phenylindolo[3,2-b]carbazole
CID 167157338
10-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-phenylphenanthridine;10-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenylphenanthridine;10-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenylphenanthridine;10-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-6-phenylphenanthridine
CID 161158065
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-naphthalen-2-ylcarbazol-3-yl)-9-[3-(2-phenylphenyl)phenyl]carbazole;3-(9-naphthalen-2-ylcarbazol-3-yl)-9-[4-(3-phenylphenyl)phenyl]carbazole
CID 165109371
6-anthracen-2-yl-3-phenylpyrrolo[2,3-c]carbazole;3-phenyl-6-(3-pyren-1-ylphenyl)pyrrolo[2,3-c]carbazole;3-phenyl-6-(4-pyren-1-ylphenyl)pyrrolo[2,3-c]carbazole
CID 161247563
3-[9-(3-naphthalen-1-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 159770105
6-[9-(4-fluoranthen-3-ylphenyl)carbazol-3-yl]-2-[9-(3-fluoranthen-3-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole
CID 137420632

Frequently Asked Questions

What is the IUPAC name of 9-[3-[6-(4-methylphenyl)pyren-1-yl]phenyl]carbazole;9-[4-(8-naphthalen-2-ylpyren-1-yl)phenyl]carbazole;9-[3-(6-phenylpyren-1-yl)phenyl]carbazole?
The IUPAC name of 9-[3-[6-(4-methylphenyl)pyren-1-yl]phenyl]carbazole;9-[4-(8-naphthalen-2-ylpyren-1-yl)phenyl]carbazole;9-[3-(6-phenylpyren-1-yl)phenyl]carbazole (CID 160792996) is 9-[3-[6-(4-methylphenyl)pyren-1-yl]phenyl]carbazole;9-[4-(8-naphthalen-2-ylpyren-1-yl)phenyl]carbazole;9-[3-(6-phenylpyren-1-yl)phenyl]carbazole.
What is the SMILES notation for 9-[3-[6-(4-methylphenyl)pyren-1-yl]phenyl]carbazole;9-[4-(8-naphthalen-2-ylpyren-1-yl)phenyl]carbazole;9-[3-(6-phenylpyren-1-yl)phenyl]carbazole?
The canonical SMILES for 9-[3-[6-(4-methylphenyl)pyren-1-yl]phenyl]carbazole;9-[4-(8-naphthalen-2-ylpyren-1-yl)phenyl]carbazole;9-[3-(6-phenylpyren-1-yl)phenyl]carbazole is Cc1ccc(-c2ccc3ccc4c(-c5cccc(-n6c7ccccc7c7ccccc76)c5)ccc5ccc2c3c54)cc1.c1ccc(-c2ccc3ccc4c(-c5cccc(-n6c7ccccc7c7ccccc76)c5)ccc5ccc2c3c54)cc1.c1ccc2cc(-c3ccc4ccc5ccc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)c6ccc3c4c56)ccc2c1.
What is the InChIKey of 9-[3-[6-(4-methylphenyl)pyren-1-yl]phenyl]carbazole;9-[4-(8-naphthalen-2-ylpyren-1-yl)phenyl]carbazole;9-[3-(6-phenylpyren-1-yl)phenyl]carbazole?
The InChIKey is SCBKHOGGBQGXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27N.C41H27N.C40H25N/c1-2-8-32-27-33(16-13-28(32)7-1)36-24-20-31-15-14-30-19-23-35(39-25-26-40(36)44(31)43(30)39)29-17-21-34(22-18-29)45-41-11-5-3-9-37(41)38-10-4-6-12-42(38)45;1-26-13-15-27(16-14-26)32-21-17-28-20-24-37-33(22-18-29-19-23-36(32)40(28)41(29)37)30-7-6-8-31(25-30)42-38-11-4-2-9-34(38)35-10-3-5-12-39(35)42;1-2-9-26(10-3-1)31-21-17-27-20-24-36-32(22-18-28-19-23-35(31)39(27)40(28)36)29-11-8-12-30(25-29)41-37-15-6-4-13-33(37)34-14-5-7-16-38(34)41/h1-27H;2-25H,1H3;1-25H.
What are the key properties of 9-[3-[6-(4-methylphenyl)pyren-1-yl]phenyl]carbazole;9-[4-(8-naphthalen-2-ylpyren-1-yl)phenyl]carbazole;9-[3-(6-phenylpyren-1-yl)phenyl]carbazole?
9-[3-[6-(4-methylphenyl)pyren-1-yl]phenyl]carbazole;9-[4-(8-naphthalen-2-ylpyren-1-yl)phenyl]carbazole;9-[3-(6-phenylpyren-1-yl)phenyl]carbazole has a molecular weight of 1623.03 g/mol, XLogP of 34.51, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[6-(4-methylphenyl)pyren-1-yl]phenyl]carbazole;9-[4-(8-naphthalen-2-ylpyren-1-yl)phenyl]carbazole;9-[3-(6-phenylpyren-1-yl)phenyl]carbazole is sourced from PubChem (CID 160792996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).