N-[4-(8,9-dihydro-7H-benzo[7]annulen-2-yl)phenyl]-5-methyl-6-[2-methyl-3-(2-methylphenyl)phenyl]-N-phenyl-9,10-dihydrophenanthren-3-amine

C52H45N — CID 174293532

IUPACN-[4-(8,9-dihydro-7H-benzo[7]annulen-2-yl)phenyl]-5-methyl-6-[2-methyl-3-(2-methylphenyl)phenyl]-N-phenyl-9,10-dihydrophenanthren-3-amine
SMILESCc1ccccc1-c1cccc(-c2ccc3c(c2C)-c2cc(N(c4ccccc4)c4ccc(-c5ccc6c(c5)CCCC=C6)cc4)ccc2CC3)c1C
InChIInChI=1S/C52H45N/c1-35-13-10-11-18-47(35)48-19-12-20-49(36(48)2)50-32-28-41-23-22-40-27-31-46(34-51(40)52(41)37(50)3)53(44-16-8-5-9-17-44)45-29-25-39(26-30-45)43-24-21-38-14-6-4-7-15-42(38)33-43/h5-6,8-14,16-21,24-34H,4,7,15,22-23H2,1-3H3
InChIKeyOAMUMCDUMGHPOD-UHFFFAOYSA-N
MW683.94 g/mol
LogP14.20
Rot. Bonds6

About N-[4-(8,9-dihydro-7H-benzo[7]annulen-2-yl)phenyl]-5-methyl-6-[2-methyl-3-(2-methylphenyl)phenyl]-N-phenyl-9,10-dihydrophenanthren-3-amine

N-[4-(8,9-dihydro-7H-benzo[7]annulen-2-yl)phenyl]-5-methyl-6-[2-methyl-3-(2-methylphenyl)phenyl]-N-phenyl-9,10-dihydrophenanthren-3-amine (PubChem CID 174293532) has the molecular formula C52H45N and a molecular weight of 683.94 g/mol. Its IUPAC name is N-[4-(8,9-dihydro-7H-benzo[7]annulen-2-yl)phenyl]-5-methyl-6-[2-methyl-3-(2-methylphenyl)phenyl]-N-phenyl-9,10-dihydrophenanthren-3-amine.

Molecular Properties

Compound NameN-[4-(8,9-dihydro-7H-benzo[7]annulen-2-yl)phenyl]-5-methyl-6-[2-methyl-3-(2-methylphenyl)phenyl]-N-phenyl-9,10-dihydrophenanthren-3-amine
PubChem CID174293532
Molecular FormulaC52H45N
Molecular Weight683.94 g/mol
Exact Mass683.36
IUPAC NameN-[4-(8,9-dihydro-7H-benzo[7]annulen-2-yl)phenyl]-5-methyl-6-[2-methyl-3-(2-methylphenyl)phenyl]-N-phenyl-9,10-dihydrophenanthren-3-amine
SMILESCc1ccccc1-c1cccc(-c2ccc3c(c2C)-c2cc(N(c4ccccc4)c4ccc(-c5ccc6c(c5)CCCC=C6)cc4)ccc2CC3)c1C
InChIInChI=1S/C52H45N/c1-35-13-10-11-18-47(35)48-19-12-20-49(36(48)2)50-32-28-41-23-22-40-27-31-46(34-51(40)52(41)37(50)3)53(44-16-8-5-9-17-44)45-29-25-39(26-30-45)43-24-21-38-14-6-4-7-15-42(38)33-43/h5-6,8-14,16-21,24-34H,4,7,15,22-23H2,1-3H3
InChIKeyOAMUMCDUMGHPOD-UHFFFAOYSA-N
XLogP14.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.94
LogP ≤ 514.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[4-(8,9-dihydro-7H-benzo[7]annulen-2-yl)phenyl]-5-methyl-6-[2-methyl-3-(2-methylphenyl)phenyl]-N-phenyl-9,10-dihydrophenanthren-3-amine with MolForge

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Related Compounds

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3-[3-(5,6-dihydronaphthalen-1-yl)phenyl]-N-[4-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
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N-[4-[2-[2-(2-methylphenyl)phenyl]phenyl]phenyl]-N-phenyltetraphenylen-2-amine
CID 137232562
3-methyl-N,N-bis[3-methyl-4-(2-methylphenyl)phenyl]-4-(2-methylphenyl)aniline;4-methyl-N,N-bis[4-methyl-3-(2-methylphenyl)phenyl]-3-(2-methylphenyl)aniline;3-methyl-N-[4-[4-[3-methyl-N-[3-methyl-4-(2-methylphenyl)phenyl]-4-(2-methylphenyl)anilino]phenyl]phenyl]-N-[3-methyl-4-(2-methylphenyl)phenyl]-4-(2-methylphenyl)aniline
CID 158046153
3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-[4-[3-[3-(4-methylphenyl)phenyl]phenyl]phenyl]-N-phenylaniline
CID 71009597
N-[4-[2-methyl-3-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]phenyl]-4-phenyl-N-[4-(3-phenyl-1a,9b-dihydro-1H-cyclopropa[l]phenanthren-8-yl)phenyl]aniline
CID 145354759
ethane;N-[4-[2-methyl-3-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]phenyl]-4-phenyl-N-[4-(3-phenyl-1a,9b-dihydro-1H-cyclopropa[l]phenanthren-8-yl)phenyl]aniline
CID 145354758
N-[4-[3-(2-methylphenyl)phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 146556750
3-(9H-fluoren-2-yl)-N,N-bis(4-phenylphenyl)aniline
CID 146386867
2-N,7-N-bis[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-2-N,7-N,9,9-tetraphenylfluorene-2,7-diamine
CID 140895854
N-[4-[2-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 144907542
1-N,3-N-bis[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-1-N,3-N-bis[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzene-1,3-diamine
CID 170152967

Frequently Asked Questions

What is the IUPAC name of N-[4-(8,9-dihydro-7H-benzo[7]annulen-2-yl)phenyl]-5-methyl-6-[2-methyl-3-(2-methylphenyl)phenyl]-N-phenyl-9,10-dihydrophenanthren-3-amine?
The IUPAC name of N-[4-(8,9-dihydro-7H-benzo[7]annulen-2-yl)phenyl]-5-methyl-6-[2-methyl-3-(2-methylphenyl)phenyl]-N-phenyl-9,10-dihydrophenanthren-3-amine (CID 174293532) is N-[4-(8,9-dihydro-7H-benzo[7]annulen-2-yl)phenyl]-5-methyl-6-[2-methyl-3-(2-methylphenyl)phenyl]-N-phenyl-9,10-dihydrophenanthren-3-amine.
What is the SMILES notation for N-[4-(8,9-dihydro-7H-benzo[7]annulen-2-yl)phenyl]-5-methyl-6-[2-methyl-3-(2-methylphenyl)phenyl]-N-phenyl-9,10-dihydrophenanthren-3-amine?
The canonical SMILES for N-[4-(8,9-dihydro-7H-benzo[7]annulen-2-yl)phenyl]-5-methyl-6-[2-methyl-3-(2-methylphenyl)phenyl]-N-phenyl-9,10-dihydrophenanthren-3-amine is Cc1ccccc1-c1cccc(-c2ccc3c(c2C)-c2cc(N(c4ccccc4)c4ccc(-c5ccc6c(c5)CCCC=C6)cc4)ccc2CC3)c1C.
What is the InChIKey of N-[4-(8,9-dihydro-7H-benzo[7]annulen-2-yl)phenyl]-5-methyl-6-[2-methyl-3-(2-methylphenyl)phenyl]-N-phenyl-9,10-dihydrophenanthren-3-amine?
The InChIKey is OAMUMCDUMGHPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H45N/c1-35-13-10-11-18-47(35)48-19-12-20-49(36(48)2)50-32-28-41-23-22-40-27-31-46(34-51(40)52(41)37(50)3)53(44-16-8-5-9-17-44)45-29-25-39(26-30-45)43-24-21-38-14-6-4-7-15-42(38)33-43/h5-6,8-14,16-21,24-34H,4,7,15,22-23H2,1-3H3.
What are the key properties of N-[4-(8,9-dihydro-7H-benzo[7]annulen-2-yl)phenyl]-5-methyl-6-[2-methyl-3-(2-methylphenyl)phenyl]-N-phenyl-9,10-dihydrophenanthren-3-amine?
N-[4-(8,9-dihydro-7H-benzo[7]annulen-2-yl)phenyl]-5-methyl-6-[2-methyl-3-(2-methylphenyl)phenyl]-N-phenyl-9,10-dihydrophenanthren-3-amine has a molecular weight of 683.94 g/mol, XLogP of 14.20, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(8,9-dihydro-7H-benzo[7]annulen-2-yl)phenyl]-5-methyl-6-[2-methyl-3-(2-methylphenyl)phenyl]-N-phenyl-9,10-dihydrophenanthren-3-amine is sourced from PubChem (CID 174293532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).