N-[4-(7-methyl-7,8,9,10-tetrahydrophenanthren-2-yl)cyclohexa-2,4-dien-1-yl]-N-[3-(9-naphthalen-2-ylcarbazol-4-yl)cyclohexa-1,5-dien-1-yl]-4-phenylaniline

C61H50N2 — CID 167195135

IUPACN-[4-(7-methyl-7,8,9,10-tetrahydrophenanthren-2-yl)cyclohexa-2,4-dien-1-yl]-N-[3-(9-naphthalen-2-ylcarbazol-4-yl)cyclohexa-1,5-dien-1-yl]-4-phenylaniline
SMILESCC1C=CC2=C(CCc3cc(C4=CCC(N(C5=CC(c6cccc7c6c6ccccc6n7-c6ccc7ccccc7c6)CC=C5)c5ccc(-c6ccccc6)cc5)C=C4)ccc32)C1
InChIInChI=1S/C61H50N2/c1-41-21-35-55-49(37-41)22-23-50-38-47(29-36-56(50)55)45-26-32-52(33-27-45)62(51-30-24-44(25-31-51)42-11-3-2-4-12-42)53-16-9-15-48(40-53)57-18-10-20-60-61(57)58-17-7-8-19-59(58)63(60)54-34-28-43-13-5-6-14-46(43)39-54/h2-14,16-21,24-32,34-36,38-41,48,52H,15,22-23,33,37H2,1H3
InChIKeyXOIBGELDNQXKAD-UHFFFAOYSA-N
MW811.09 g/mol
LogP15.75
Rot. Bonds7

About N-[4-(7-methyl-7,8,9,10-tetrahydrophenanthren-2-yl)cyclohexa-2,4-dien-1-yl]-N-[3-(9-naphthalen-2-ylcarbazol-4-yl)cyclohexa-1,5-dien-1-yl]-4-phenylaniline

N-[4-(7-methyl-7,8,9,10-tetrahydrophenanthren-2-yl)cyclohexa-2,4-dien-1-yl]-N-[3-(9-naphthalen-2-ylcarbazol-4-yl)cyclohexa-1,5-dien-1-yl]-4-phenylaniline (PubChem CID 167195135) has the molecular formula C61H50N2 and a molecular weight of 811.09 g/mol. Its IUPAC name is N-[4-(7-methyl-7,8,9,10-tetrahydrophenanthren-2-yl)cyclohexa-2,4-dien-1-yl]-N-[3-(9-naphthalen-2-ylcarbazol-4-yl)cyclohexa-1,5-dien-1-yl]-4-phenylaniline.

Molecular Properties

Compound NameN-[4-(7-methyl-7,8,9,10-tetrahydrophenanthren-2-yl)cyclohexa-2,4-dien-1-yl]-N-[3-(9-naphthalen-2-ylcarbazol-4-yl)cyclohexa-1,5-dien-1-yl]-4-phenylaniline
PubChem CID167195135
Molecular FormulaC61H50N2
Molecular Weight811.09 g/mol
Exact Mass810.40
IUPAC NameN-[4-(7-methyl-7,8,9,10-tetrahydrophenanthren-2-yl)cyclohexa-2,4-dien-1-yl]-N-[3-(9-naphthalen-2-ylcarbazol-4-yl)cyclohexa-1,5-dien-1-yl]-4-phenylaniline
SMILESCC1C=CC2=C(CCc3cc(C4=CCC(N(C5=CC(c6cccc7c6c6ccccc6n7-c6ccc7ccccc7c6)CC=C5)c5ccc(-c6ccccc6)cc5)C=C4)ccc32)C1
InChIInChI=1S/C61H50N2/c1-41-21-35-55-49(37-41)22-23-50-38-47(29-36-56(50)55)45-26-32-52(33-27-45)62(51-30-24-44(25-31-51)42-11-3-2-4-12-42)53-16-9-15-48(40-53)57-18-10-20-60-61(57)58-17-7-8-19-59(58)63(60)54-34-28-43-13-5-6-14-46(43)39-54/h2-14,16-21,24-32,34-36,38-41,48,52H,15,22-23,33,37H2,1H3
InChIKeyXOIBGELDNQXKAD-UHFFFAOYSA-N
XLogP15.75
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500811.09
LogP ≤ 515.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[4-(7-methyl-7,8,9,10-tetrahydrophenanthren-2-yl)cyclohexa-2,4-dien-1-yl]-N-[3-(9-naphthalen-2-ylcarbazol-4-yl)cyclohexa-1,5-dien-1-yl]-4-phenylaniline with MolForge

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Related Compounds

N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)aniline
CID 138569576
N-[4-(3-carbazol-9-ylphenyl)cyclohexa-2,4-dien-1-yl]-4-(3-dibenzofuran-4-ylcyclohexa-1,5-dien-1-yl)-N-[4-(3-dibenzofuran-4-ylcyclohexa-1,5-dien-1-yl)phenyl]aniline
CID 163594248
4-cyclohexa-1,3-dien-1-yl-N-[4-(9-dibenzothiophen-2-ylcarbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-(4-phenylphenyl)aniline
CID 170131651
N-cyclohexa-1,3-dien-1-yl-7,9,9-trimethyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]cyclohexa-2,4-dien-1-yl]-1,7,8,9a-tetrahydrofluoren-2-amine
CID 134591959
4-(5-carbazol-9-ylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)cyclohexa-2,4-dien-1-yl]aniline
CID 167211262
N-(4-naphthalen-2-ylcyclohexa-2,4-dien-1-yl)-N,11-diphenylbenzo[a]carbazol-3-amine
CID 167157236
2-[9-[3-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 144884764
11-dibenzofuran-3-yl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)benzo[a]carbazol-2-amine
CID 146186880
3-[4-(10-naphthalen-2-ylphenanthren-3-yl)cyclohexa-1,5-dien-1-yl]-9-phenylcarbazole
CID 145156378
4-[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-N-(4-naphthalen-2-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)cyclohexa-1,5-dien-1-yl]aniline
CID 167195787
N-[6-(4-cyclohexa-2,4-dien-1-ylphenyl)-9-phenylcarbazol-3-yl]-N-naphthalen-1-yl-9-phenyl-6-(4-phenylcyclohexa-1,5-dien-1-yl)carbazol-3-amine
CID 163564194
N-(4-phenylphenyl)-N-[4-(4-triphenylen-1-ylphenyl)cyclohexa-2,4-dien-1-yl]phenanthren-9-amine
CID 153357645

Frequently Asked Questions

What is the IUPAC name of N-[4-(7-methyl-7,8,9,10-tetrahydrophenanthren-2-yl)cyclohexa-2,4-dien-1-yl]-N-[3-(9-naphthalen-2-ylcarbazol-4-yl)cyclohexa-1,5-dien-1-yl]-4-phenylaniline?
The IUPAC name of N-[4-(7-methyl-7,8,9,10-tetrahydrophenanthren-2-yl)cyclohexa-2,4-dien-1-yl]-N-[3-(9-naphthalen-2-ylcarbazol-4-yl)cyclohexa-1,5-dien-1-yl]-4-phenylaniline (CID 167195135) is N-[4-(7-methyl-7,8,9,10-tetrahydrophenanthren-2-yl)cyclohexa-2,4-dien-1-yl]-N-[3-(9-naphthalen-2-ylcarbazol-4-yl)cyclohexa-1,5-dien-1-yl]-4-phenylaniline.
What is the SMILES notation for N-[4-(7-methyl-7,8,9,10-tetrahydrophenanthren-2-yl)cyclohexa-2,4-dien-1-yl]-N-[3-(9-naphthalen-2-ylcarbazol-4-yl)cyclohexa-1,5-dien-1-yl]-4-phenylaniline?
The canonical SMILES for N-[4-(7-methyl-7,8,9,10-tetrahydrophenanthren-2-yl)cyclohexa-2,4-dien-1-yl]-N-[3-(9-naphthalen-2-ylcarbazol-4-yl)cyclohexa-1,5-dien-1-yl]-4-phenylaniline is CC1C=CC2=C(CCc3cc(C4=CCC(N(C5=CC(c6cccc7c6c6ccccc6n7-c6ccc7ccccc7c6)CC=C5)c5ccc(-c6ccccc6)cc5)C=C4)ccc32)C1.
What is the InChIKey of N-[4-(7-methyl-7,8,9,10-tetrahydrophenanthren-2-yl)cyclohexa-2,4-dien-1-yl]-N-[3-(9-naphthalen-2-ylcarbazol-4-yl)cyclohexa-1,5-dien-1-yl]-4-phenylaniline?
The InChIKey is XOIBGELDNQXKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H50N2/c1-41-21-35-55-49(37-41)22-23-50-38-47(29-36-56(50)55)45-26-32-52(33-27-45)62(51-30-24-44(25-31-51)42-11-3-2-4-12-42)53-16-9-15-48(40-53)57-18-10-20-60-61(57)58-17-7-8-19-59(58)63(60)54-34-28-43-13-5-6-14-46(43)39-54/h2-14,16-21,24-32,34-36,38-41,48,52H,15,22-23,33,37H2,1H3.
What are the key properties of N-[4-(7-methyl-7,8,9,10-tetrahydrophenanthren-2-yl)cyclohexa-2,4-dien-1-yl]-N-[3-(9-naphthalen-2-ylcarbazol-4-yl)cyclohexa-1,5-dien-1-yl]-4-phenylaniline?
N-[4-(7-methyl-7,8,9,10-tetrahydrophenanthren-2-yl)cyclohexa-2,4-dien-1-yl]-N-[3-(9-naphthalen-2-ylcarbazol-4-yl)cyclohexa-1,5-dien-1-yl]-4-phenylaniline has a molecular weight of 811.09 g/mol, XLogP of 15.75, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(7-methyl-7,8,9,10-tetrahydrophenanthren-2-yl)cyclohexa-2,4-dien-1-yl]-N-[3-(9-naphthalen-2-ylcarbazol-4-yl)cyclohexa-1,5-dien-1-yl]-4-phenylaniline is sourced from PubChem (CID 167195135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).