N-(7,8,9,9a-tetrahydrodibenzofuran-3-yl)-N-(6,7-dihydrodibenzofuran-1-yl)-9-(4-methylcyclohexa-2,4-dien-1-yl)-4a,7,8,9a-tetrahydrocarbazol-3-amine

C43H40N2O2 — CID 163828407

IUPACN-(7,8,9,9a-tetrahydrodibenzofuran-3-yl)-N-(6,7-dihydrodibenzofuran-1-yl)-9-(4-methylcyclohexa-2,4-dien-1-yl)-4a,7,8,9a-tetrahydrocarbazol-3-amine
SMILESCC1=CCC(N2C3=C(C=CCC3)C3C=C(N(c4ccc5c(c4)OC4=CCCCC45)c4cccc5oc6c(c45)C=CCC6)C=CC32)C=C1
InChIInChI=1S/C43H40N2O2/c1-27-17-19-28(20-18-27)45-36-12-5-2-9-31(36)35-25-29(22-24-37(35)45)44(30-21-23-33-32-10-3-6-14-39(32)47-42(33)26-30)38-13-8-16-41-43(38)34-11-4-7-15-40(34)46-41/h2,4,8-9,11,13-14,16-19,21-26,28,32,35,37H,3,5-7,10,12,15,20H2,1H3
InChIKeyOBNRZVBCABSCIJ-UHFFFAOYSA-N
MW616.81 g/mol
LogP10.71
Rot. Bonds4

About N-(7,8,9,9a-tetrahydrodibenzofuran-3-yl)-N-(6,7-dihydrodibenzofuran-1-yl)-9-(4-methylcyclohexa-2,4-dien-1-yl)-4a,7,8,9a-tetrahydrocarbazol-3-amine

N-(7,8,9,9a-tetrahydrodibenzofuran-3-yl)-N-(6,7-dihydrodibenzofuran-1-yl)-9-(4-methylcyclohexa-2,4-dien-1-yl)-4a,7,8,9a-tetrahydrocarbazol-3-amine (PubChem CID 163828407) has the molecular formula C43H40N2O2 and a molecular weight of 616.81 g/mol. Its IUPAC name is N-(7,8,9,9a-tetrahydrodibenzofuran-3-yl)-N-(6,7-dihydrodibenzofuran-1-yl)-9-(4-methylcyclohexa-2,4-dien-1-yl)-4a,7,8,9a-tetrahydrocarbazol-3-amine.

Molecular Properties

Compound NameN-(7,8,9,9a-tetrahydrodibenzofuran-3-yl)-N-(6,7-dihydrodibenzofuran-1-yl)-9-(4-methylcyclohexa-2,4-dien-1-yl)-4a,7,8,9a-tetrahydrocarbazol-3-amine
PubChem CID163828407
Molecular FormulaC43H40N2O2
Molecular Weight616.81 g/mol
Exact Mass616.31
IUPAC NameN-(7,8,9,9a-tetrahydrodibenzofuran-3-yl)-N-(6,7-dihydrodibenzofuran-1-yl)-9-(4-methylcyclohexa-2,4-dien-1-yl)-4a,7,8,9a-tetrahydrocarbazol-3-amine
SMILESCC1=CCC(N2C3=C(C=CCC3)C3C=C(N(c4ccc5c(c4)OC4=CCCCC45)c4cccc5oc6c(c45)C=CCC6)C=CC32)C=C1
InChIInChI=1S/C43H40N2O2/c1-27-17-19-28(20-18-27)45-36-12-5-2-9-31(36)35-25-29(22-24-37(35)45)44(30-21-23-33-32-10-3-6-14-39(32)47-42(33)26-30)38-13-8-16-41-43(38)34-11-4-7-15-40(34)46-41/h2,4,8-9,11,13-14,16-19,21-26,28,32,35,37H,3,5-7,10,12,15,20H2,1H3
InChIKeyOBNRZVBCABSCIJ-UHFFFAOYSA-N
XLogP10.71
TPSA28.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.81
LogP ≤ 510.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(7,8,9,9a-tetrahydrodibenzofuran-3-yl)-N-(6,7-dihydrodibenzofuran-1-yl)-9-(4-methylcyclohexa-2,4-dien-1-yl)-4a,7,8,9a-tetrahydrocarbazol-3-amine with MolForge

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Related Compounds

N-(6,7-dihydrodibenzofuran-1-yl)-N-(1,2,6,7,8,9-hexahydrodibenzothiophen-4-yl)-9-(4-methylcyclohexa-1,5-dien-1-yl)-7-(1-methylcyclohex-2-en-1-yl)-4a,4b,8a,9a-tetrahydrocarbazol-3-amine
CID 166957241
1-N-(6,7-dihydrodibenzofuran-1-yl)-3-N-(8,9-dihydrodibenzofuran-1-yl)-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)benzene-1,3-diamine
CID 139384344
2-(8-cyclohexylnaphthalen-1-yl)-N-(2-dibenzothiophen-4-ylphenyl)-N-[4-(2-methyl-6,7-dihydrodibenzofuran-3-yl)phenyl]aniline
CID 170300711
N-[4-[10-(3-bicyclo[4.1.0]hept-2-enyl)-5a,6-dihydrophenothiazin-3-yl]cyclohexa-1,5-dien-1-yl]-N-naphthalen-1-yl-6,7-dihydrodibenzofuran-2-amine
CID 163815140
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9-phenylfluoren-9-yl)phenyl]-6,7-dihydrodibenzofuran-3-amine
CID 170304639
12-N-dibenzofuran-4-yl-6-N-(6,7-dihydrodibenzofuran-4-yl)-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine
CID 131993922
2-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-6,7-dihydrodibenzofuran-3-amine
CID 142406058
9-(cyclohexen-1-yl)-N-phenyl-N-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)carbazol-3-amine
CID 163888660
9-[6-cyano-2-[16-(2-cyanophenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-2(10),4(9),5,7,11,14(19),15,17-octaen-7-yl]cyclohexa-2,4-dien-1-yl]-4a,7,8,9a-tetrahydrocarbazole-3-carbonitrile
CID 139565923
N-[4-[9-(4-tert-butylphenyl)-4a,5,6,9a-tetrahydrocarbazol-2-yl]cyclohexa-1,5-dien-1-yl]-N-dibenzothiophen-3-yl-2,3-dihydrodibenzofuran-4-amine
CID 168814507
15-propan-2-yl-10,24-dioxa-15-azaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4(9),5,12,18,20,22,26-decaene
CID 168834148
N,2-diphenyl-N-[4-(4-phenylphenyl)phenyl]-6,7-dihydrodibenzofuran-3-amine
CID 142406198

Frequently Asked Questions

What is the IUPAC name of N-(7,8,9,9a-tetrahydrodibenzofuran-3-yl)-N-(6,7-dihydrodibenzofuran-1-yl)-9-(4-methylcyclohexa-2,4-dien-1-yl)-4a,7,8,9a-tetrahydrocarbazol-3-amine?
The IUPAC name of N-(7,8,9,9a-tetrahydrodibenzofuran-3-yl)-N-(6,7-dihydrodibenzofuran-1-yl)-9-(4-methylcyclohexa-2,4-dien-1-yl)-4a,7,8,9a-tetrahydrocarbazol-3-amine (CID 163828407) is N-(7,8,9,9a-tetrahydrodibenzofuran-3-yl)-N-(6,7-dihydrodibenzofuran-1-yl)-9-(4-methylcyclohexa-2,4-dien-1-yl)-4a,7,8,9a-tetrahydrocarbazol-3-amine.
What is the SMILES notation for N-(7,8,9,9a-tetrahydrodibenzofuran-3-yl)-N-(6,7-dihydrodibenzofuran-1-yl)-9-(4-methylcyclohexa-2,4-dien-1-yl)-4a,7,8,9a-tetrahydrocarbazol-3-amine?
The canonical SMILES for N-(7,8,9,9a-tetrahydrodibenzofuran-3-yl)-N-(6,7-dihydrodibenzofuran-1-yl)-9-(4-methylcyclohexa-2,4-dien-1-yl)-4a,7,8,9a-tetrahydrocarbazol-3-amine is CC1=CCC(N2C3=C(C=CCC3)C3C=C(N(c4ccc5c(c4)OC4=CCCCC45)c4cccc5oc6c(c45)C=CCC6)C=CC32)C=C1.
What is the InChIKey of N-(7,8,9,9a-tetrahydrodibenzofuran-3-yl)-N-(6,7-dihydrodibenzofuran-1-yl)-9-(4-methylcyclohexa-2,4-dien-1-yl)-4a,7,8,9a-tetrahydrocarbazol-3-amine?
The InChIKey is OBNRZVBCABSCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H40N2O2/c1-27-17-19-28(20-18-27)45-36-12-5-2-9-31(36)35-25-29(22-24-37(35)45)44(30-21-23-33-32-10-3-6-14-39(32)47-42(33)26-30)38-13-8-16-41-43(38)34-11-4-7-15-40(34)46-41/h2,4,8-9,11,13-14,16-19,21-26,28,32,35,37H,3,5-7,10,12,15,20H2,1H3.
What are the key properties of N-(7,8,9,9a-tetrahydrodibenzofuran-3-yl)-N-(6,7-dihydrodibenzofuran-1-yl)-9-(4-methylcyclohexa-2,4-dien-1-yl)-4a,7,8,9a-tetrahydrocarbazol-3-amine?
N-(7,8,9,9a-tetrahydrodibenzofuran-3-yl)-N-(6,7-dihydrodibenzofuran-1-yl)-9-(4-methylcyclohexa-2,4-dien-1-yl)-4a,7,8,9a-tetrahydrocarbazol-3-amine has a molecular weight of 616.81 g/mol, XLogP of 10.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7,8,9,9a-tetrahydrodibenzofuran-3-yl)-N-(6,7-dihydrodibenzofuran-1-yl)-9-(4-methylcyclohexa-2,4-dien-1-yl)-4a,7,8,9a-tetrahydrocarbazol-3-amine is sourced from PubChem (CID 163828407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).