N-(9-cyclohexa-2,4-dien-1-yl-9-phenyl-4b,8a-dihydrofluoren-2-yl)-4a,5a,6,7,8,9,9a,9b-octahydrodibenzofuran-1-amine

C37H37NO — CID 139297104

IUPACN-(9-cyclohexa-2,4-dien-1-yl-9-phenyl-4b,8a-dihydrofluoren-2-yl)-4a,5a,6,7,8,9,9a,9b-octahydrodibenzofuran-1-amine
SMILESC1=CCC(C2(c3ccccc3)c3cc(NC4=CC=CC5OC6CCCCC6C45)ccc3C3C=CC=CC32)C=C1
InChIInChI=1S/C37H37NO/c1-3-12-25(13-4-1)37(26-14-5-2-6-15-26)31-18-9-7-16-28(31)29-23-22-27(24-32(29)37)38-33-19-11-21-35-36(33)30-17-8-10-20-34(30)39-35/h1-7,9,11-14,16,18-19,21-24,26,28,30-31,34-36,38H,8,10,15,17,20H2
InChIKeyNSPBDRWHJOWWPL-UHFFFAOYSA-N
MW511.71 g/mol
LogP8.38
Rot. Bonds4

About N-(9-cyclohexa-2,4-dien-1-yl-9-phenyl-4b,8a-dihydrofluoren-2-yl)-4a,5a,6,7,8,9,9a,9b-octahydrodibenzofuran-1-amine

N-(9-cyclohexa-2,4-dien-1-yl-9-phenyl-4b,8a-dihydrofluoren-2-yl)-4a,5a,6,7,8,9,9a,9b-octahydrodibenzofuran-1-amine (PubChem CID 139297104) has the molecular formula C37H37NO and a molecular weight of 511.71 g/mol. Its IUPAC name is N-(9-cyclohexa-2,4-dien-1-yl-9-phenyl-4b,8a-dihydrofluoren-2-yl)-4a,5a,6,7,8,9,9a,9b-octahydrodibenzofuran-1-amine.

Molecular Properties

Compound NameN-(9-cyclohexa-2,4-dien-1-yl-9-phenyl-4b,8a-dihydrofluoren-2-yl)-4a,5a,6,7,8,9,9a,9b-octahydrodibenzofuran-1-amine
PubChem CID139297104
Molecular FormulaC37H37NO
Molecular Weight511.71 g/mol
Exact Mass511.29
IUPAC NameN-(9-cyclohexa-2,4-dien-1-yl-9-phenyl-4b,8a-dihydrofluoren-2-yl)-4a,5a,6,7,8,9,9a,9b-octahydrodibenzofuran-1-amine
SMILESC1=CCC(C2(c3ccccc3)c3cc(NC4=CC=CC5OC6CCCCC6C45)ccc3C3C=CC=CC32)C=C1
InChIInChI=1S/C37H37NO/c1-3-12-25(13-4-1)37(26-14-5-2-6-15-26)31-18-9-7-16-28(31)29-23-22-27(24-32(29)37)38-33-19-11-21-35-36(33)30-17-8-10-20-34(30)39-35/h1-7,9,11-14,16,18-19,21-24,26,28,30-31,34-36,38H,8,10,15,17,20H2
InChIKeyNSPBDRWHJOWWPL-UHFFFAOYSA-N
XLogP8.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.71
LogP ≤ 58.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(9-cyclohexa-2,4-dien-1-yl-9-phenyl-4b,8a-dihydrofluoren-2-yl)-4a,5a,6,7,8,9,9a,9b-octahydrodibenzofuran-1-amine with MolForge

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Related Compounds

9-cyclohexa-2,4-dien-1-yl-N-(4-naphthalen-1-ylphenyl)-9-phenylfluoren-4-amine
CID 139355218
9-cyclohexa-2,4-dien-1-yl-2-(7-iodonaphthalen-2-yl)-9-phenylfluorene
CID 126546614
N-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-9,9-dimethyl-4b,8a-dihydrofluoren-2-amine
CID 87689633
9-cyclohexa-2,4-dien-1-yl-9-phenyl-N-[3-(6-phenylcyclohexa-2,4-dien-1-yl)phenyl]-N-(1-phenylnaphthalen-2-yl)fluoren-2-amine
CID 156558937
N-[4-[4-ethyl-3-(2-methylphenyl)phenyl]phenyl]-3-(9-phenyl-4a,9a-dihydrofluoren-9-yl)aniline
CID 166714576
10'-naphthalen-1-yl-N-phenylspiro[4a,9a-dihydrofluorene-9,9'-acridine]-2'-amine
CID 166958428
N-(7'-naphthalen-1-ylspiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2'-yl)-9-phenylcarbazol-3-amine
CID 70878231
N-[2-(1-cyclohexa-2,4-dien-1-yl-13-phenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,15,17-octaenyl)phenyl]-N,9-diphenylcarbazol-2-amine
CID 146413755
12'-phenyl-N-(4-phenylphenyl)spiro[4a,9a-dihydrofluorene-9,7'-naphtho[1,2-b]quinoline]-9'-amine
CID 155484351
14-cyclohexa-2,4-dien-1-yl-9-(2,4-diphenyl-1,3-diazetidin-1-ium-1-yl)-14-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),4,6,11,15,17,19-octaene
CID 145064231
N,6'-diphenylspiro[4a,9a-dihydrofluorene-9,9'-thioxanthene]-3'-amine
CID 166958485
N-(9,9-diphenyl-4b,8a-dihydrofluoren-2-yl)-N-naphthalen-2-yl-9-phenylcarbazol-2-amine
CID 164778272

Frequently Asked Questions

What is the IUPAC name of N-(9-cyclohexa-2,4-dien-1-yl-9-phenyl-4b,8a-dihydrofluoren-2-yl)-4a,5a,6,7,8,9,9a,9b-octahydrodibenzofuran-1-amine?
The IUPAC name of N-(9-cyclohexa-2,4-dien-1-yl-9-phenyl-4b,8a-dihydrofluoren-2-yl)-4a,5a,6,7,8,9,9a,9b-octahydrodibenzofuran-1-amine (CID 139297104) is N-(9-cyclohexa-2,4-dien-1-yl-9-phenyl-4b,8a-dihydrofluoren-2-yl)-4a,5a,6,7,8,9,9a,9b-octahydrodibenzofuran-1-amine.
What is the SMILES notation for N-(9-cyclohexa-2,4-dien-1-yl-9-phenyl-4b,8a-dihydrofluoren-2-yl)-4a,5a,6,7,8,9,9a,9b-octahydrodibenzofuran-1-amine?
The canonical SMILES for N-(9-cyclohexa-2,4-dien-1-yl-9-phenyl-4b,8a-dihydrofluoren-2-yl)-4a,5a,6,7,8,9,9a,9b-octahydrodibenzofuran-1-amine is C1=CCC(C2(c3ccccc3)c3cc(NC4=CC=CC5OC6CCCCC6C45)ccc3C3C=CC=CC32)C=C1.
What is the InChIKey of N-(9-cyclohexa-2,4-dien-1-yl-9-phenyl-4b,8a-dihydrofluoren-2-yl)-4a,5a,6,7,8,9,9a,9b-octahydrodibenzofuran-1-amine?
The InChIKey is NSPBDRWHJOWWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H37NO/c1-3-12-25(13-4-1)37(26-14-5-2-6-15-26)31-18-9-7-16-28(31)29-23-22-27(24-32(29)37)38-33-19-11-21-35-36(33)30-17-8-10-20-34(30)39-35/h1-7,9,11-14,16,18-19,21-24,26,28,30-31,34-36,38H,8,10,15,17,20H2.
What are the key properties of N-(9-cyclohexa-2,4-dien-1-yl-9-phenyl-4b,8a-dihydrofluoren-2-yl)-4a,5a,6,7,8,9,9a,9b-octahydrodibenzofuran-1-amine?
N-(9-cyclohexa-2,4-dien-1-yl-9-phenyl-4b,8a-dihydrofluoren-2-yl)-4a,5a,6,7,8,9,9a,9b-octahydrodibenzofuran-1-amine has a molecular weight of 511.71 g/mol, XLogP of 8.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-cyclohexa-2,4-dien-1-yl-9-phenyl-4b,8a-dihydrofluoren-2-yl)-4a,5a,6,7,8,9,9a,9b-octahydrodibenzofuran-1-amine is sourced from PubChem (CID 139297104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).