9-[4-(18-phenyl-5-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)naphthalen-1-yl]carbazole

C54H33N — CID 138665387

IUPAC9-[4-(18-phenyl-5-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)naphthalen-1-yl]carbazole
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2c2c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)c6ccccc56)cc4c4ccccc4c32)cc1
InChIInChI=1S/C54H33N/c1-2-14-34(15-3-1)35-26-28-46-48(32-35)39-17-5-8-22-44(39)54-47-29-27-36(33-49(47)40-18-6-9-23-45(40)53(46)54)37-30-31-52(41-19-7-4-16-38(37)41)55-50-24-12-10-20-42(50)43-21-11-13-25-51(43)55/h1-33H
InChIKeyXFEYKCMYLFSFFC-UHFFFAOYSA-N
MW695.87 g/mol
LogP15.04
Rot. Bonds3

About 9-[4-(18-phenyl-5-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)naphthalen-1-yl]carbazole

9-[4-(18-phenyl-5-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)naphthalen-1-yl]carbazole (PubChem CID 138665387) has the molecular formula C54H33N and a molecular weight of 695.87 g/mol. Its IUPAC name is 9-[4-(18-phenyl-5-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)naphthalen-1-yl]carbazole.

Molecular Properties

Compound Name9-[4-(18-phenyl-5-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)naphthalen-1-yl]carbazole
PubChem CID138665387
Molecular FormulaC54H33N
Molecular Weight695.87 g/mol
Exact Mass695.26
IUPAC Name9-[4-(18-phenyl-5-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)naphthalen-1-yl]carbazole
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2c2c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)c6ccccc56)cc4c4ccccc4c32)cc1
InChIInChI=1S/C54H33N/c1-2-14-34(15-3-1)35-26-28-46-48(32-35)39-17-5-8-22-44(39)54-47-29-27-36(33-49(47)40-18-6-9-23-45(40)53(46)54)37-30-31-52(41-19-7-4-16-38(37)41)55-50-24-12-10-20-42(50)43-21-11-13-25-51(43)55/h1-33H
InChIKeyXFEYKCMYLFSFFC-UHFFFAOYSA-N
XLogP15.04
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500695.87
LogP ≤ 515.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 9-[4-(18-phenyl-5-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)naphthalen-1-yl]carbazole with MolForge

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Related Compounds

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N-(4-carbazol-9-ylnaphthalen-1-yl)-4-(9-phenylcarbazol-2-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]naphthalen-1-amine
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3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylnaphthalen-1-yl)carbazole
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11-(4-phenylnaphthalen-1-yl)-5-(4-phenylphenyl)indolo[3,2-b]carbazole
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2-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;2-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-9-(4-phenylnaphthalen-1-yl)carbazole
CID 160531037
3-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-[4-(3,5-diphenylphenyl)phenyl]carbazole;2-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-(4-phenylnaphthalen-1-yl)carbazole;2-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;2-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-9-(4-phenylnaphthalen-1-yl)carbazole;2-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-[4-(3,5-diphenylphenyl)phenyl]-3-phenyl-6-[9-(4-phenylphenyl)carbazol-2-yl]carbazole
CID 157278148
9-[4-[4-[4-[4-(3,6-diphenylcarbazol-9-yl)naphthalen-1-yl]phenyl]sulfanylphenyl]naphthalen-1-yl]-3,6-diphenylcarbazole
CID 59372164
9-(4-carbazol-9-yltriphenylen-2-yl)-2-phenylcarbazole
CID 163872533
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
9-[3-(7-phenyltriphenylen-2-yl)phenyl]carbazole
CID 174278174
9-[2-(2-carbazol-9-yl-4-phenylphenyl)phenyl]carbazole
CID 138513637
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

Frequently Asked Questions

What is the IUPAC name of 9-[4-(18-phenyl-5-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)naphthalen-1-yl]carbazole?
The IUPAC name of 9-[4-(18-phenyl-5-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)naphthalen-1-yl]carbazole (CID 138665387) is 9-[4-(18-phenyl-5-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)naphthalen-1-yl]carbazole.
What is the SMILES notation for 9-[4-(18-phenyl-5-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)naphthalen-1-yl]carbazole?
The canonical SMILES for 9-[4-(18-phenyl-5-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)naphthalen-1-yl]carbazole is c1ccc(-c2ccc3c(c2)c2ccccc2c2c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)c6ccccc56)cc4c4ccccc4c32)cc1.
What is the InChIKey of 9-[4-(18-phenyl-5-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)naphthalen-1-yl]carbazole?
The InChIKey is XFEYKCMYLFSFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33N/c1-2-14-34(15-3-1)35-26-28-46-48(32-35)39-17-5-8-22-44(39)54-47-29-27-36(33-49(47)40-18-6-9-23-45(40)53(46)54)37-30-31-52(41-19-7-4-16-38(37)41)55-50-24-12-10-20-42(50)43-21-11-13-25-51(43)55/h1-33H.
What are the key properties of 9-[4-(18-phenyl-5-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)naphthalen-1-yl]carbazole?
9-[4-(18-phenyl-5-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)naphthalen-1-yl]carbazole has a molecular weight of 695.87 g/mol, XLogP of 15.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(18-phenyl-5-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)naphthalen-1-yl]carbazole is sourced from PubChem (CID 138665387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).