(7Z,8Z)-7-ethylidene-11,11-dimethyl-N-[2-[(5R)-5-methylcyclohexa-1,3-dien-1-yl]phenyl]-8-prop-2-enylidenebenzo[b]fluoren-2-amine

C37H35N — CID 88996853

IUPAC(7Z,8Z)-7-ethylidene-11,11-dimethyl-N-[2-[(5R)-5-methylcyclohexa-1,3-dien-1-yl]phenyl]-8-prop-2-enylidenebenzo[b]fluoren-2-amine
SMILESC=C/C=c1/cc2cc3c(cc2c/c1=C/C)-c1ccc(Nc2ccccc2C2=CC=C[C@H](C)C2)cc1C3(C)C
InChIInChI=1S/C37H35N/c1-6-11-26-20-29-22-34-33(21-28(29)19-25(26)7-2)32-17-16-30(23-35(32)37(34,4)5)38-36-15-9-8-14-31(36)27-13-10-12-24(3)18-27/h6-17,19-24,38H,1,18H2,2-5H3/b25-7-,26-11-/t24-/m0/s1
InChIKeyQKXPINWLZZUQFG-DYJFQUHLSA-N
MW493.69 g/mol
LogP8.64
Rot. Bonds4

About (7Z,8Z)-7-ethylidene-11,11-dimethyl-N-[2-[(5R)-5-methylcyclohexa-1,3-dien-1-yl]phenyl]-8-prop-2-enylidenebenzo[b]fluoren-2-amine

(7Z,8Z)-7-ethylidene-11,11-dimethyl-N-[2-[(5R)-5-methylcyclohexa-1,3-dien-1-yl]phenyl]-8-prop-2-enylidenebenzo[b]fluoren-2-amine (PubChem CID 88996853) has the molecular formula C37H35N and a molecular weight of 493.69 g/mol. Its IUPAC name is (7Z,8Z)-7-ethylidene-11,11-dimethyl-N-[2-[(5R)-5-methylcyclohexa-1,3-dien-1-yl]phenyl]-8-prop-2-enylidenebenzo[b]fluoren-2-amine.

Molecular Properties

Compound Name(7Z,8Z)-7-ethylidene-11,11-dimethyl-N-[2-[(5R)-5-methylcyclohexa-1,3-dien-1-yl]phenyl]-8-prop-2-enylidenebenzo[b]fluoren-2-amine
PubChem CID88996853
Molecular FormulaC37H35N
Molecular Weight493.69 g/mol
Exact Mass493.28
IUPAC Name(7Z,8Z)-7-ethylidene-11,11-dimethyl-N-[2-[(5R)-5-methylcyclohexa-1,3-dien-1-yl]phenyl]-8-prop-2-enylidenebenzo[b]fluoren-2-amine
SMILESC=C/C=c1/cc2cc3c(cc2c/c1=C/C)-c1ccc(Nc2ccccc2C2=CC=C[C@H](C)C2)cc1C3(C)C
InChIInChI=1S/C37H35N/c1-6-11-26-20-29-22-34-33(21-28(29)19-25(26)7-2)32-17-16-30(23-35(32)37(34,4)5)38-36-15-9-8-14-31(36)27-13-10-12-24(3)18-27/h6-17,19-24,38H,1,18H2,2-5H3/b25-7-,26-11-/t24-/m0/s1
InChIKeyQKXPINWLZZUQFG-DYJFQUHLSA-N
XLogP8.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.69
LogP ≤ 58.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (7Z,8Z)-7-ethylidene-11,11-dimethyl-N-[2-[(5R)-5-methylcyclohexa-1,3-dien-1-yl]phenyl]-8-prop-2-enylidenebenzo[b]fluoren-2-amine with MolForge

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Related Compounds

2-N,7-N-bis(2-anilinophenyl)-9,9-dimethylfluorene-2,7-diamine
CID 71080481
2-[3-[12-[(5S)-5-methylcyclohexa-1,3-dien-1-yl]-14-azapentacyclo[13.8.0.02,7.08,13.017,22]tricosa-1(23),2,4,6,8(13),9,11,15,17,19,21-undecaen-10-yl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 121355867
N-[2-(4-cyclopentylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 177124729
9,9-dimethyl-N-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-2-amine
CID 146293909
N-[2-(2-cyclobutylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 177124830
N-(9,9-dimethylfluoren-3-yl)-7-methyl-6,7-dihydrodibenzofuran-1-amine
CID 175610558
7-ethenyl-9,9-dimethyl-N-[4-[4-(naphthalen-1-ylamino)phenyl]phenyl]fluoren-2-amine
CID 142734200
N-(4-tert-butylphenyl)-9,9-dimethyl-N-[2-[8-(5-methylcyclohexa-1,3-dien-1-yl)naphthalen-1-yl]phenyl]fluoren-2-amine
CID 170291968
N-[2-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 156556685
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-3-amine
CID 142567693
N-(4-ethenylphenyl)-9,9-dimethylfluoren-2-amine
CID 163509163
N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine
CID 90294631

Frequently Asked Questions

What is the IUPAC name of (7Z,8Z)-7-ethylidene-11,11-dimethyl-N-[2-[(5R)-5-methylcyclohexa-1,3-dien-1-yl]phenyl]-8-prop-2-enylidenebenzo[b]fluoren-2-amine?
The IUPAC name of (7Z,8Z)-7-ethylidene-11,11-dimethyl-N-[2-[(5R)-5-methylcyclohexa-1,3-dien-1-yl]phenyl]-8-prop-2-enylidenebenzo[b]fluoren-2-amine (CID 88996853) is (7Z,8Z)-7-ethylidene-11,11-dimethyl-N-[2-[(5R)-5-methylcyclohexa-1,3-dien-1-yl]phenyl]-8-prop-2-enylidenebenzo[b]fluoren-2-amine.
What is the SMILES notation for (7Z,8Z)-7-ethylidene-11,11-dimethyl-N-[2-[(5R)-5-methylcyclohexa-1,3-dien-1-yl]phenyl]-8-prop-2-enylidenebenzo[b]fluoren-2-amine?
The canonical SMILES for (7Z,8Z)-7-ethylidene-11,11-dimethyl-N-[2-[(5R)-5-methylcyclohexa-1,3-dien-1-yl]phenyl]-8-prop-2-enylidenebenzo[b]fluoren-2-amine is C=C/C=c1/cc2cc3c(cc2c/c1=C/C)-c1ccc(Nc2ccccc2C2=CC=C[C@H](C)C2)cc1C3(C)C.
What is the InChIKey of (7Z,8Z)-7-ethylidene-11,11-dimethyl-N-[2-[(5R)-5-methylcyclohexa-1,3-dien-1-yl]phenyl]-8-prop-2-enylidenebenzo[b]fluoren-2-amine?
The InChIKey is QKXPINWLZZUQFG-DYJFQUHLSA-N. The full InChI is InChI=1S/C37H35N/c1-6-11-26-20-29-22-34-33(21-28(29)19-25(26)7-2)32-17-16-30(23-35(32)37(34,4)5)38-36-15-9-8-14-31(36)27-13-10-12-24(3)18-27/h6-17,19-24,38H,1,18H2,2-5H3/b25-7-,26-11-/t24-/m0/s1.
What are the key properties of (7Z,8Z)-7-ethylidene-11,11-dimethyl-N-[2-[(5R)-5-methylcyclohexa-1,3-dien-1-yl]phenyl]-8-prop-2-enylidenebenzo[b]fluoren-2-amine?
(7Z,8Z)-7-ethylidene-11,11-dimethyl-N-[2-[(5R)-5-methylcyclohexa-1,3-dien-1-yl]phenyl]-8-prop-2-enylidenebenzo[b]fluoren-2-amine has a molecular weight of 493.69 g/mol, XLogP of 8.64, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z,8Z)-7-ethylidene-11,11-dimethyl-N-[2-[(5R)-5-methylcyclohexa-1,3-dien-1-yl]phenyl]-8-prop-2-enylidenebenzo[b]fluoren-2-amine is sourced from PubChem (CID 88996853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).