N-dibenzofuran-2-yl-9-(5-methylcyclohexa-1,3-dien-1-yl)-N-(5-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,6,8,10,12,14(19),15-octaenyl)carbazol-3-amine

C51H38N2O — CID 167282084

IUPACN-dibenzofuran-2-yl-9-(5-methylcyclohexa-1,3-dien-1-yl)-N-(5-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,6,8,10,12,14(19),15-octaenyl)carbazol-3-amine
SMILESCC1C=CC=C(n2c3ccccc3c3cc(N(c4ccc5oc6ccccc6c5c4)C4C=C5C(=CC4)c4c6c(cc7cccc5c47)C=CCC6)ccc32)C1
InChIInChI=1S/C51H38N2O/c1-31-10-8-13-34(26-31)53-46-18-6-4-15-39(46)44-29-36(21-24-47(44)53)52(37-22-25-49-45(30-37)40-16-5-7-19-48(40)54-49)35-20-23-42-43(28-35)41-17-9-12-33-27-32-11-2-3-14-38(32)51(42)50(33)41/h2,4-13,15-19,21-25,27-31,35H,3,14,20,26H2,1H3
InChIKeyZQTPTKCFXCKTJT-UHFFFAOYSA-N
MW694.88 g/mol
LogP13.63
Rot. Bonds4

About N-dibenzofuran-2-yl-9-(5-methylcyclohexa-1,3-dien-1-yl)-N-(5-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,6,8,10,12,14(19),15-octaenyl)carbazol-3-amine

N-dibenzofuran-2-yl-9-(5-methylcyclohexa-1,3-dien-1-yl)-N-(5-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,6,8,10,12,14(19),15-octaenyl)carbazol-3-amine (PubChem CID 167282084) has the molecular formula C51H38N2O and a molecular weight of 694.88 g/mol. Its IUPAC name is N-dibenzofuran-2-yl-9-(5-methylcyclohexa-1,3-dien-1-yl)-N-(5-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,6,8,10,12,14(19),15-octaenyl)carbazol-3-amine.

Molecular Properties

Compound NameN-dibenzofuran-2-yl-9-(5-methylcyclohexa-1,3-dien-1-yl)-N-(5-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,6,8,10,12,14(19),15-octaenyl)carbazol-3-amine
PubChem CID167282084
Molecular FormulaC51H38N2O
Molecular Weight694.88 g/mol
Exact Mass694.30
IUPAC NameN-dibenzofuran-2-yl-9-(5-methylcyclohexa-1,3-dien-1-yl)-N-(5-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,6,8,10,12,14(19),15-octaenyl)carbazol-3-amine
SMILESCC1C=CC=C(n2c3ccccc3c3cc(N(c4ccc5oc6ccccc6c5c4)C4C=C5C(=CC4)c4c6c(cc7cccc5c47)C=CCC6)ccc32)C1
InChIInChI=1S/C51H38N2O/c1-31-10-8-13-34(26-31)53-46-18-6-4-15-39(46)44-29-36(21-24-47(44)53)52(37-22-25-49-45(30-37)40-16-5-7-19-48(40)54-49)35-20-23-42-43(28-35)41-17-9-12-33-27-32-11-2-3-14-38(32)51(42)50(33)41/h2,4-13,15-19,21-25,27-31,35H,3,14,20,26H2,1H3
InChIKeyZQTPTKCFXCKTJT-UHFFFAOYSA-N
XLogP13.63
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.88
LogP ≤ 513.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-dibenzofuran-2-yl-9-(5-methylcyclohexa-1,3-dien-1-yl)-N-(5-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,6,8,10,12,14(19),15-octaenyl)carbazol-3-amine with MolForge

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Related Compounds

9-(1-methyl-1,8a-dihydronaphthalen-2-yl)-N-naphthalen-2-yl-N-(4-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,6,8,10,12,14,16,18-nonaenyl)carbazol-3-amine
CID 167282074
2-dibenzofuran-4-yl-N-methyl-N-(4-methylcyclohexa-1,5-dien-1-yl)-4-[11-(5-methylcyclohexa-1,3-dien-1-yl)indolo[2,3-a]carbazol-12-yl]aniline
CID 170139743
5-[8-[4-dibenzofuran-2-yl-6-(7-methyl-7,8-dihydronaphthalen-1-yl)-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-10-yl]benzo[b]carbazole
CID 167043681
N-[4-[3-[4-(N-dibenzofuran-2-ylanilino)phenyl]-5-phenylphenyl]cyclohexa-2,4-dien-1-yl]-N,9-diphenylcarbazol-3-amine
CID 90207063
N-dibenzothiophen-3-yl-3-methyl-N-(6-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14(19),15-nonaenyl)-1-phenyl-2-[(Z)-prop-1-enyl]indol-5-amine
CID 167282143
N-(5,6-dihydronaphthalen-1-yl)-N-(5-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14(19),15-nonaenyl)-9-phenylcarbazol-2-amine
CID 167282097
3-[4-[10-[4-[9-(cyclohexen-1-yl)carbazol-3-yl]phenyl]-2,3,6,7-tetramethylanthracen-9-yl]phenyl]-9-(5-methylcyclohexa-1,3-dien-1-yl)carbazole
CID 163537418
3-[9-(4-dibenzofuran-2-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole
CID 163486477
9-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-[4-[4-[(5-methylcyclohexa-1,3-dien-1-yl)-[(2R)-9-phenyl-2,3,5,6-tetrahydrocarbazol-2-yl]amino]phenyl]phenyl]-N-phenylcarbazol-2-amine
CID 137468873
2-(7,8-dihydronaphthalen-1-yl)-8-(3-phenylnaphthalen-2-yl)dibenzofuran
CID 70972681
3-[9-(4-dibenzofuran-2-ylphenyl)-7-methyl-7,8-dihydrocarbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 159168669
N-dibenzofuran-2-yl-N-(5-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaenyl)-9-phenylcarbazol-2-amine
CID 167357231

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-2-yl-9-(5-methylcyclohexa-1,3-dien-1-yl)-N-(5-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,6,8,10,12,14(19),15-octaenyl)carbazol-3-amine?
The IUPAC name of N-dibenzofuran-2-yl-9-(5-methylcyclohexa-1,3-dien-1-yl)-N-(5-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,6,8,10,12,14(19),15-octaenyl)carbazol-3-amine (CID 167282084) is N-dibenzofuran-2-yl-9-(5-methylcyclohexa-1,3-dien-1-yl)-N-(5-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,6,8,10,12,14(19),15-octaenyl)carbazol-3-amine.
What is the SMILES notation for N-dibenzofuran-2-yl-9-(5-methylcyclohexa-1,3-dien-1-yl)-N-(5-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,6,8,10,12,14(19),15-octaenyl)carbazol-3-amine?
The canonical SMILES for N-dibenzofuran-2-yl-9-(5-methylcyclohexa-1,3-dien-1-yl)-N-(5-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,6,8,10,12,14(19),15-octaenyl)carbazol-3-amine is CC1C=CC=C(n2c3ccccc3c3cc(N(c4ccc5oc6ccccc6c5c4)C4C=C5C(=CC4)c4c6c(cc7cccc5c47)C=CCC6)ccc32)C1.
What is the InChIKey of N-dibenzofuran-2-yl-9-(5-methylcyclohexa-1,3-dien-1-yl)-N-(5-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,6,8,10,12,14(19),15-octaenyl)carbazol-3-amine?
The InChIKey is ZQTPTKCFXCKTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H38N2O/c1-31-10-8-13-34(26-31)53-46-18-6-4-15-39(46)44-29-36(21-24-47(44)53)52(37-22-25-49-45(30-37)40-16-5-7-19-48(40)54-49)35-20-23-42-43(28-35)41-17-9-12-33-27-32-11-2-3-14-38(32)51(42)50(33)41/h2,4-13,15-19,21-25,27-31,35H,3,14,20,26H2,1H3.
What are the key properties of N-dibenzofuran-2-yl-9-(5-methylcyclohexa-1,3-dien-1-yl)-N-(5-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,6,8,10,12,14(19),15-octaenyl)carbazol-3-amine?
N-dibenzofuran-2-yl-9-(5-methylcyclohexa-1,3-dien-1-yl)-N-(5-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,6,8,10,12,14(19),15-octaenyl)carbazol-3-amine has a molecular weight of 694.88 g/mol, XLogP of 13.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-2-yl-9-(5-methylcyclohexa-1,3-dien-1-yl)-N-(5-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,6,8,10,12,14(19),15-octaenyl)carbazol-3-amine is sourced from PubChem (CID 167282084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).