6-carbazol-9-yl-9-cyclohexa-1,3-dien-1-yl-N-cyclohexa-1,3-dien-5-yn-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]carbazol-1-amine

C61H41N3 — CID 170202355

IUPAC6-carbazol-9-yl-9-cyclohexa-1,3-dien-1-yl-N-cyclohexa-1,3-dien-5-yn-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]carbazol-1-amine
SMILESc1cccc(N(c2ccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)cc2)c2cccc3c4cc(-n5c6ccccc6c6ccccc65)ccc4n(C4=CC=CCC4)c23)c#1
InChIInChI=1S/C61H41N3/c1-4-19-42(20-5-1)61(54-30-14-10-25-48(54)49-26-11-15-31-55(49)61)43-35-37-46(38-36-43)62(44-21-6-2-7-22-44)59-34-18-29-52-53-41-47(39-40-58(53)64(60(52)59)45-23-8-3-9-24-45)63-56-32-16-12-27-50(56)51-28-13-17-33-57(51)63/h1-6,8,10-21,23,25-41H,9,24H2
InChIKeyQJQYRPZAWZCDCB-UHFFFAOYSA-N
MW816.02 g/mol
LogP15.52
Rot. Bonds7

About 6-carbazol-9-yl-9-cyclohexa-1,3-dien-1-yl-N-cyclohexa-1,3-dien-5-yn-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]carbazol-1-amine

6-carbazol-9-yl-9-cyclohexa-1,3-dien-1-yl-N-cyclohexa-1,3-dien-5-yn-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]carbazol-1-amine (PubChem CID 170202355) has the molecular formula C61H41N3 and a molecular weight of 816.02 g/mol. Its IUPAC name is 6-carbazol-9-yl-9-cyclohexa-1,3-dien-1-yl-N-cyclohexa-1,3-dien-5-yn-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]carbazol-1-amine.

Molecular Properties

Compound Name6-carbazol-9-yl-9-cyclohexa-1,3-dien-1-yl-N-cyclohexa-1,3-dien-5-yn-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]carbazol-1-amine
PubChem CID170202355
Molecular FormulaC61H41N3
Molecular Weight816.02 g/mol
Exact Mass815.33
IUPAC Name6-carbazol-9-yl-9-cyclohexa-1,3-dien-1-yl-N-cyclohexa-1,3-dien-5-yn-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]carbazol-1-amine
SMILESc1cccc(N(c2ccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)cc2)c2cccc3c4cc(-n5c6ccccc6c6ccccc65)ccc4n(C4=CC=CCC4)c23)c#1
InChIInChI=1S/C61H41N3/c1-4-19-42(20-5-1)61(54-30-14-10-25-48(54)49-26-11-15-31-55(49)61)43-35-37-46(38-36-43)62(44-21-6-2-7-22-44)59-34-18-29-52-53-41-47(39-40-58(53)64(60(52)59)45-23-8-3-9-24-45)63-56-32-16-12-27-50(56)51-28-13-17-33-57(51)63/h1-6,8,10-21,23,25-41H,9,24H2
InChIKeyQJQYRPZAWZCDCB-UHFFFAOYSA-N
XLogP15.52
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500816.02
LogP ≤ 515.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-carbazol-9-yl-9-cyclohexa-1,3-dien-1-yl-N-cyclohexa-1,3-dien-5-yn-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]carbazol-1-amine with MolForge

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Related Compounds

N-(3-carbazol-9-ylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-4-amine
CID 121381724
9-cyclohexa-1,3-dien-1-yl-N-[4-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)cyclohexa-1,3-dien-1-yl]-N-phenylcarbazol-2-amine
CID 146413776
N-naphthalen-1-yl-9-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]carbazol-3-amine
CID 129264419
2-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 177116819
N-[4-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 146658906
N,3-diphenyl-N-[4-[3-(9-phenylfluoren-9-yl)carbazol-9-yl]phenyl]aniline
CID 167214673
N-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-9-(2-phenylphenyl)carbazol-1-amine
CID 169044305
3-carbazol-9-yl-N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;N-(4-carbazol-9-ylphenyl)-4-(3,5-diphenylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 160587851
4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-[3-(9-phenylfluoren-9-yl)carbazol-9-yl]phenyl]aniline
CID 167214691
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-[9-phenyl-3-[9-[4-[4-(9-phenylfluoren-9-yl)-N-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-ylanilino]phenyl]carbazol-3-yl]fluoren-9-yl]phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine
CID 135180576
9-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 129264403
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(9-phenylfluoren-9-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 121381212

Frequently Asked Questions

What is the IUPAC name of 6-carbazol-9-yl-9-cyclohexa-1,3-dien-1-yl-N-cyclohexa-1,3-dien-5-yn-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]carbazol-1-amine?
The IUPAC name of 6-carbazol-9-yl-9-cyclohexa-1,3-dien-1-yl-N-cyclohexa-1,3-dien-5-yn-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]carbazol-1-amine (CID 170202355) is 6-carbazol-9-yl-9-cyclohexa-1,3-dien-1-yl-N-cyclohexa-1,3-dien-5-yn-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]carbazol-1-amine.
What is the SMILES notation for 6-carbazol-9-yl-9-cyclohexa-1,3-dien-1-yl-N-cyclohexa-1,3-dien-5-yn-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]carbazol-1-amine?
The canonical SMILES for 6-carbazol-9-yl-9-cyclohexa-1,3-dien-1-yl-N-cyclohexa-1,3-dien-5-yn-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]carbazol-1-amine is c1cccc(N(c2ccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)cc2)c2cccc3c4cc(-n5c6ccccc6c6ccccc65)ccc4n(C4=CC=CCC4)c23)c#1.
What is the InChIKey of 6-carbazol-9-yl-9-cyclohexa-1,3-dien-1-yl-N-cyclohexa-1,3-dien-5-yn-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]carbazol-1-amine?
The InChIKey is QJQYRPZAWZCDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H41N3/c1-4-19-42(20-5-1)61(54-30-14-10-25-48(54)49-26-11-15-31-55(49)61)43-35-37-46(38-36-43)62(44-21-6-2-7-22-44)59-34-18-29-52-53-41-47(39-40-58(53)64(60(52)59)45-23-8-3-9-24-45)63-56-32-16-12-27-50(56)51-28-13-17-33-57(51)63/h1-6,8,10-21,23,25-41H,9,24H2.
What are the key properties of 6-carbazol-9-yl-9-cyclohexa-1,3-dien-1-yl-N-cyclohexa-1,3-dien-5-yn-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]carbazol-1-amine?
6-carbazol-9-yl-9-cyclohexa-1,3-dien-1-yl-N-cyclohexa-1,3-dien-5-yn-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]carbazol-1-amine has a molecular weight of 816.02 g/mol, XLogP of 15.52, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-carbazol-9-yl-9-cyclohexa-1,3-dien-1-yl-N-cyclohexa-1,3-dien-5-yn-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]carbazol-1-amine is sourced from PubChem (CID 170202355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).