N-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-9,9-dimethyl-4b,8a-dihydrofluoren-2-amine

C27H29N — CID 87689633

IUPACN-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-9,9-dimethyl-4b,8a-dihydrofluoren-2-amine
SMILESCC1(C)c2cc(NC3=CC=C(C4=CC=CCC4)CC3)ccc2C2C=CC=CC21
InChIInChI=1S/C27H29N/c1-27(2)25-11-7-6-10-23(25)24-17-16-22(18-26(24)27)28-21-14-12-20(13-15-21)19-8-4-3-5-9-19/h3-4,6-8,10-12,14,16-18,23,25,28H,5,9,13,15H2,1-2H3
InChIKeySDSBNSCZSCZSQZ-UHFFFAOYSA-N
MW367.54 g/mol
LogP7.10
Rot. Bonds3

About N-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-9,9-dimethyl-4b,8a-dihydrofluoren-2-amine

N-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-9,9-dimethyl-4b,8a-dihydrofluoren-2-amine (PubChem CID 87689633) has the molecular formula C27H29N and a molecular weight of 367.54 g/mol. Its IUPAC name is N-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-9,9-dimethyl-4b,8a-dihydrofluoren-2-amine.

Molecular Properties

Compound NameN-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-9,9-dimethyl-4b,8a-dihydrofluoren-2-amine
PubChem CID87689633
Molecular FormulaC27H29N
Molecular Weight367.54 g/mol
Exact Mass367.23
IUPAC NameN-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-9,9-dimethyl-4b,8a-dihydrofluoren-2-amine
SMILESCC1(C)c2cc(NC3=CC=C(C4=CC=CCC4)CC3)ccc2C2C=CC=CC21
InChIInChI=1S/C27H29N/c1-27(2)25-11-7-6-10-23(25)24-17-16-22(18-26(24)27)28-21-14-12-20(13-15-21)19-8-4-3-5-9-19/h3-4,6-8,10-12,14,16-18,23,25,28H,5,9,13,15H2,1-2H3
InChIKeySDSBNSCZSCZSQZ-UHFFFAOYSA-N
XLogP7.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.54
LogP ≤ 57.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-9,9-dimethyl-4b,8a-dihydrofluoren-2-amine?
The IUPAC name of N-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-9,9-dimethyl-4b,8a-dihydrofluoren-2-amine (CID 87689633) is N-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-9,9-dimethyl-4b,8a-dihydrofluoren-2-amine.
What is the SMILES notation for N-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-9,9-dimethyl-4b,8a-dihydrofluoren-2-amine?
The canonical SMILES for N-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-9,9-dimethyl-4b,8a-dihydrofluoren-2-amine is CC1(C)c2cc(NC3=CC=C(C4=CC=CCC4)CC3)ccc2C2C=CC=CC21.
What is the InChIKey of N-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-9,9-dimethyl-4b,8a-dihydrofluoren-2-amine?
The InChIKey is SDSBNSCZSCZSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N/c1-27(2)25-11-7-6-10-23(25)24-17-16-22(18-26(24)27)28-21-14-12-20(13-15-21)19-8-4-3-5-9-19/h3-4,6-8,10-12,14,16-18,23,25,28H,5,9,13,15H2,1-2H3.
What are the key properties of N-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-9,9-dimethyl-4b,8a-dihydrofluoren-2-amine?
N-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-9,9-dimethyl-4b,8a-dihydrofluoren-2-amine has a molecular weight of 367.54 g/mol, XLogP of 7.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-9,9-dimethyl-4b,8a-dihydrofluoren-2-amine is sourced from PubChem (CID 87689633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).