N-[4-(10,10-dimethyl-5-phenylindeno[1,2-b]indol-8-yl)phenyl]-9,9-dimethyl-N-phenyl-2,3-dihydrofluoren-2-amine

C50H42N2 — CID 137397140

IUPACN-[4-(10,10-dimethyl-5-phenylindeno[1,2-b]indol-8-yl)phenyl]-9,9-dimethyl-N-phenyl-2,3-dihydrofluoren-2-amine
SMILESCC1(C)C2=CC(N(c3ccccc3)c3ccc(-c4ccc5c(c4)c4c(n5-c5ccccc5)-c5ccccc5C4(C)C)cc3)CC=C2c2ccccc21
InChIInChI=1S/C50H42N2/c1-49(2)43-21-13-11-19-39(43)40-29-28-38(32-45(40)49)51(35-15-7-5-8-16-35)37-26-23-33(24-27-37)34-25-30-46-42(31-34)47-48(52(46)36-17-9-6-10-18-36)41-20-12-14-22-44(41)50(47,3)4/h5-27,29-32,38H,28H2,1-4H3
InChIKeyKLKILBGGBBQZSQ-UHFFFAOYSA-N
MW670.90 g/mol
LogP12.82
Rot. Bonds5

About N-[4-(10,10-dimethyl-5-phenylindeno[1,2-b]indol-8-yl)phenyl]-9,9-dimethyl-N-phenyl-2,3-dihydrofluoren-2-amine

N-[4-(10,10-dimethyl-5-phenylindeno[1,2-b]indol-8-yl)phenyl]-9,9-dimethyl-N-phenyl-2,3-dihydrofluoren-2-amine (PubChem CID 137397140) has the molecular formula C50H42N2 and a molecular weight of 670.90 g/mol. Its IUPAC name is N-[4-(10,10-dimethyl-5-phenylindeno[1,2-b]indol-8-yl)phenyl]-9,9-dimethyl-N-phenyl-2,3-dihydrofluoren-2-amine.

Molecular Properties

Compound NameN-[4-(10,10-dimethyl-5-phenylindeno[1,2-b]indol-8-yl)phenyl]-9,9-dimethyl-N-phenyl-2,3-dihydrofluoren-2-amine
PubChem CID137397140
Molecular FormulaC50H42N2
Molecular Weight670.90 g/mol
Exact Mass670.33
IUPAC NameN-[4-(10,10-dimethyl-5-phenylindeno[1,2-b]indol-8-yl)phenyl]-9,9-dimethyl-N-phenyl-2,3-dihydrofluoren-2-amine
SMILESCC1(C)C2=CC(N(c3ccccc3)c3ccc(-c4ccc5c(c4)c4c(n5-c5ccccc5)-c5ccccc5C4(C)C)cc3)CC=C2c2ccccc21
InChIInChI=1S/C50H42N2/c1-49(2)43-21-13-11-19-39(43)40-29-28-38(32-45(40)49)51(35-15-7-5-8-16-35)37-26-23-33(24-27-37)34-25-30-46-42(31-34)47-48(52(46)36-17-9-6-10-18-36)41-20-12-14-22-44(41)50(47,3)4/h5-27,29-32,38H,28H2,1-4H3
InChIKeyKLKILBGGBBQZSQ-UHFFFAOYSA-N
XLogP12.82
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.90
LogP ≤ 512.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-dimethyl-2,3-dihydrofluoren-3-yl)-N,9-diphenylcarbazol-3-amine
CID 70886195
8-(10,10-dimethyl-5-phenylindeno[1,2-b]indol-8-yl)-10,10-dimethyl-5-phenylindeno[1,2-b]indole
CID 121275073
8-(4-carbazol-9-ylphenyl)-10,10-dimethyl-5-phenylindeno[1,2-b]indole
CID 121274991
3,9,9-trimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-pyridin-3-ylphenyl)-2,3-dihydrofluoren-2-amine
CID 131995516
8-[4-(9,9-dimethylacridin-10-yl)phenyl]-10,10-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]indole
CID 121274988
N-[9,9-dimethyl-7-(4-phenylphenyl)-2,3-dihydrofluoren-2-yl]-9,9-diphenyl-N-[4-[(3Z)-4-(1-phenylindol-2-yl)buta-1,3-dien-2-yl]phenyl]fluoren-3-amine;N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-7-naphthalen-2-yl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-7-(4-phenylphenyl)fluoren-2-amine
CID 158356705
N-[4-(10,10-dimethyl-5-phenylindeno[1,2-b]indol-3-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 121267037
9,9-dimethyl-N,N-diphenyl-7-[2-[4-(N-phenylanilino)phenyl]ethynyl]-2,3-dihydrofluoren-2-amine
CID 70870283
N-[4-[6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-yl]phenyl]-N,4-diphenylaniline
CID 167527113
10,10-dimethyl-N,5-bis(4-phenylphenyl)-N-(6,9,9-trimethyl-5,6-dihydrofluoren-2-yl)indeno[1,2-b]indol-8-amine
CID 137396964
N-(10,10-dimethyl-7,10a-dihydro-1H-benzo[a]azulen-2-yl)-N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-3-methyl-1-phenyl-2-[(Z)-prop-1-enyl]indol-5-amine
CID 166750784
N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)-6,7-dihydrofluoren-3-amine
CID 154935189

Frequently Asked Questions

What is the IUPAC name of N-[4-(10,10-dimethyl-5-phenylindeno[1,2-b]indol-8-yl)phenyl]-9,9-dimethyl-N-phenyl-2,3-dihydrofluoren-2-amine?
The IUPAC name of N-[4-(10,10-dimethyl-5-phenylindeno[1,2-b]indol-8-yl)phenyl]-9,9-dimethyl-N-phenyl-2,3-dihydrofluoren-2-amine (CID 137397140) is N-[4-(10,10-dimethyl-5-phenylindeno[1,2-b]indol-8-yl)phenyl]-9,9-dimethyl-N-phenyl-2,3-dihydrofluoren-2-amine.
What is the SMILES notation for N-[4-(10,10-dimethyl-5-phenylindeno[1,2-b]indol-8-yl)phenyl]-9,9-dimethyl-N-phenyl-2,3-dihydrofluoren-2-amine?
The canonical SMILES for N-[4-(10,10-dimethyl-5-phenylindeno[1,2-b]indol-8-yl)phenyl]-9,9-dimethyl-N-phenyl-2,3-dihydrofluoren-2-amine is CC1(C)C2=CC(N(c3ccccc3)c3ccc(-c4ccc5c(c4)c4c(n5-c5ccccc5)-c5ccccc5C4(C)C)cc3)CC=C2c2ccccc21.
What is the InChIKey of N-[4-(10,10-dimethyl-5-phenylindeno[1,2-b]indol-8-yl)phenyl]-9,9-dimethyl-N-phenyl-2,3-dihydrofluoren-2-amine?
The InChIKey is KLKILBGGBBQZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H42N2/c1-49(2)43-21-13-11-19-39(43)40-29-28-38(32-45(40)49)51(35-15-7-5-8-16-35)37-26-23-33(24-27-37)34-25-30-46-42(31-34)47-48(52(46)36-17-9-6-10-18-36)41-20-12-14-22-44(41)50(47,3)4/h5-27,29-32,38H,28H2,1-4H3.
What are the key properties of N-[4-(10,10-dimethyl-5-phenylindeno[1,2-b]indol-8-yl)phenyl]-9,9-dimethyl-N-phenyl-2,3-dihydrofluoren-2-amine?
N-[4-(10,10-dimethyl-5-phenylindeno[1,2-b]indol-8-yl)phenyl]-9,9-dimethyl-N-phenyl-2,3-dihydrofluoren-2-amine has a molecular weight of 670.90 g/mol, XLogP of 12.82, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(10,10-dimethyl-5-phenylindeno[1,2-b]indol-8-yl)phenyl]-9,9-dimethyl-N-phenyl-2,3-dihydrofluoren-2-amine is sourced from PubChem (CID 137397140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).