7-carbazol-9-yl-N-[4-(2-cyclohexa-2,4-dien-1-ylphenyl)cyclohexa-1,5-dien-1-yl]-9,9-diethyl-N-phenylfluoren-2-amine

C53H46N2 — CID 90085884

IUPAC7-carbazol-9-yl-N-[4-(2-cyclohexa-2,4-dien-1-ylphenyl)cyclohexa-1,5-dien-1-yl]-9,9-diethyl-N-phenylfluoren-2-amine
SMILESCCC1(CC)c2cc(N(C3=CCC(c4ccccc4C4C=CC=CC4)C=C3)c3ccccc3)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C53H46N2/c1-3-53(4-2)49-35-41(31-33-45(49)46-34-32-42(36-50(46)53)55-51-25-15-13-23-47(51)48-24-14-16-26-52(48)55)54(39-19-9-6-10-20-39)40-29-27-38(28-30-40)44-22-12-11-21-43(44)37-17-7-5-8-18-37/h5-17,19-27,29-38H,3-4,18,28H2,1-2H3
InChIKeyMNGKHZDGOYYAGM-UHFFFAOYSA-N
MW710.97 g/mol
LogP14.24
Rot. Bonds8

About 7-carbazol-9-yl-N-[4-(2-cyclohexa-2,4-dien-1-ylphenyl)cyclohexa-1,5-dien-1-yl]-9,9-diethyl-N-phenylfluoren-2-amine

7-carbazol-9-yl-N-[4-(2-cyclohexa-2,4-dien-1-ylphenyl)cyclohexa-1,5-dien-1-yl]-9,9-diethyl-N-phenylfluoren-2-amine (PubChem CID 90085884) has the molecular formula C53H46N2 and a molecular weight of 710.97 g/mol. Its IUPAC name is 7-carbazol-9-yl-N-[4-(2-cyclohexa-2,4-dien-1-ylphenyl)cyclohexa-1,5-dien-1-yl]-9,9-diethyl-N-phenylfluoren-2-amine.

Molecular Properties

Compound Name7-carbazol-9-yl-N-[4-(2-cyclohexa-2,4-dien-1-ylphenyl)cyclohexa-1,5-dien-1-yl]-9,9-diethyl-N-phenylfluoren-2-amine
PubChem CID90085884
Molecular FormulaC53H46N2
Molecular Weight710.97 g/mol
Exact Mass710.37
IUPAC Name7-carbazol-9-yl-N-[4-(2-cyclohexa-2,4-dien-1-ylphenyl)cyclohexa-1,5-dien-1-yl]-9,9-diethyl-N-phenylfluoren-2-amine
SMILESCCC1(CC)c2cc(N(C3=CCC(c4ccccc4C4C=CC=CC4)C=C3)c3ccccc3)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C53H46N2/c1-3-53(4-2)49-35-41(31-33-45(49)46-34-32-42(36-50(46)53)55-51-25-15-13-23-47(51)48-24-14-16-26-52(48)55)54(39-19-9-6-10-20-39)40-29-27-38(28-30-40)44-22-12-11-21-43(44)37-17-7-5-8-18-37/h5-17,19-27,29-38H,3-4,18,28H2,1-2H3
InChIKeyMNGKHZDGOYYAGM-UHFFFAOYSA-N
XLogP14.24
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.97
LogP ≤ 514.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-carbazol-9-yl-N-[4-(2-cyclohexa-2,4-dien-1-ylphenyl)cyclohexa-1,5-dien-1-yl]-9,9-diethyl-N-phenylfluoren-2-amine with MolForge

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Related Compounds

N-(4-cyclohexa-2,4-dien-1-ylcyclohexa-1,5-dien-1-yl)-9,9-diphenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine
CID 163427849
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]cyclohexa-2,4-dien-1-yl]phenyl]cyclohexa-1,5-dien-1-yl]fluoren-2-amine
CID 163616373
6-cyclohexa-2,4-dien-1-yl-N-(9,9-diphenylfluoren-2-yl)-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-1-amine
CID 129311250
9-naphthalen-2-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine
CID 59782759
9-(9,9-diethylfluoren-2-yl)-3-N,6-N-diphenyl-3-N,6-N-di(pyren-1-yl)carbazole-3,6-diamine
CID 101142979
N-[4-(2-carbazol-9-ylphenyl)cyclohexa-1,5-dien-1-yl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 155396661
3-N-cyclohexa-2,4-dien-1-yl-7,7-dimethyl-3-N,9-N,9-N-triphenyl-5-[4-(N-phenylanilino)phenyl]indeno[2,1-b]carbazole-3,9-diamine
CID 90050746
N-(4-carbazol-9-ylphenyl)-N-cyclohexa-1,5-dien-1-yl-4-(10-cyclohexa-2,4-dien-1-yl-1,2-dihydronaphtho[1,2-b][1]benzofuran-5-yl)aniline
CID 167144567
7-carbazol-9-yl-9,9-dimethyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-phenylfluoren-2-amine
CID 58390132
7-carbazol-9-yl-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-[3-(5-phenylcyclohexa-1,3-dien-1-yl)phenyl]fluoren-2-amine
CID 90085892
9,9-diethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 147008099
2-N,2-N,7-N-tris(9,9-diethylfluoren-2-yl)-9,9-diethyl-7-N-phenylfluorene-2,7-diamine
CID 23561815

Frequently Asked Questions

What is the IUPAC name of 7-carbazol-9-yl-N-[4-(2-cyclohexa-2,4-dien-1-ylphenyl)cyclohexa-1,5-dien-1-yl]-9,9-diethyl-N-phenylfluoren-2-amine?
The IUPAC name of 7-carbazol-9-yl-N-[4-(2-cyclohexa-2,4-dien-1-ylphenyl)cyclohexa-1,5-dien-1-yl]-9,9-diethyl-N-phenylfluoren-2-amine (CID 90085884) is 7-carbazol-9-yl-N-[4-(2-cyclohexa-2,4-dien-1-ylphenyl)cyclohexa-1,5-dien-1-yl]-9,9-diethyl-N-phenylfluoren-2-amine.
What is the SMILES notation for 7-carbazol-9-yl-N-[4-(2-cyclohexa-2,4-dien-1-ylphenyl)cyclohexa-1,5-dien-1-yl]-9,9-diethyl-N-phenylfluoren-2-amine?
The canonical SMILES for 7-carbazol-9-yl-N-[4-(2-cyclohexa-2,4-dien-1-ylphenyl)cyclohexa-1,5-dien-1-yl]-9,9-diethyl-N-phenylfluoren-2-amine is CCC1(CC)c2cc(N(C3=CCC(c4ccccc4C4C=CC=CC4)C=C3)c3ccccc3)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21.
What is the InChIKey of 7-carbazol-9-yl-N-[4-(2-cyclohexa-2,4-dien-1-ylphenyl)cyclohexa-1,5-dien-1-yl]-9,9-diethyl-N-phenylfluoren-2-amine?
The InChIKey is MNGKHZDGOYYAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H46N2/c1-3-53(4-2)49-35-41(31-33-45(49)46-34-32-42(36-50(46)53)55-51-25-15-13-23-47(51)48-24-14-16-26-52(48)55)54(39-19-9-6-10-20-39)40-29-27-38(28-30-40)44-22-12-11-21-43(44)37-17-7-5-8-18-37/h5-17,19-27,29-38H,3-4,18,28H2,1-2H3.
What are the key properties of 7-carbazol-9-yl-N-[4-(2-cyclohexa-2,4-dien-1-ylphenyl)cyclohexa-1,5-dien-1-yl]-9,9-diethyl-N-phenylfluoren-2-amine?
7-carbazol-9-yl-N-[4-(2-cyclohexa-2,4-dien-1-ylphenyl)cyclohexa-1,5-dien-1-yl]-9,9-diethyl-N-phenylfluoren-2-amine has a molecular weight of 710.97 g/mol, XLogP of 14.24, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-carbazol-9-yl-N-[4-(2-cyclohexa-2,4-dien-1-ylphenyl)cyclohexa-1,5-dien-1-yl]-9,9-diethyl-N-phenylfluoren-2-amine is sourced from PubChem (CID 90085884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).