N-(17-carbazol-9-yl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-(3,5-dimethylphenyl)dibenzofuran-4-amine

C52H34N2O — CID 166032273

IUPACN-(17-carbazol-9-yl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-(3,5-dimethylphenyl)dibenzofuran-4-amine
SMILESCc1cc(C)cc(N(c2ccc3cc4c(cc3c2)-c2cc3cc(-n5c6ccccc6c6ccccc65)ccc3cc2-4)c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C52H34N2O/c1-31-22-32(2)24-39(23-31)53(50-16-9-13-43-42-12-5-8-17-51(42)55-52(43)50)37-20-18-33-27-44-45-28-34-19-21-38(26-36(34)30-47(45)46(44)29-35(33)25-37)54-48-14-6-3-10-40(48)41-11-4-7-15-49(41)54/h3-30H,1-2H3
InChIKeyFCPMBUVCGRNAGC-UHFFFAOYSA-N
MW702.86 g/mol
LogP14.72
Rot. Bonds4

About N-(17-carbazol-9-yl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-(3,5-dimethylphenyl)dibenzofuran-4-amine

N-(17-carbazol-9-yl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-(3,5-dimethylphenyl)dibenzofuran-4-amine (PubChem CID 166032273) has the molecular formula C52H34N2O and a molecular weight of 702.86 g/mol. Its IUPAC name is N-(17-carbazol-9-yl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-(3,5-dimethylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-(17-carbazol-9-yl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-(3,5-dimethylphenyl)dibenzofuran-4-amine
PubChem CID166032273
Molecular FormulaC52H34N2O
Molecular Weight702.86 g/mol
Exact Mass702.27
IUPAC NameN-(17-carbazol-9-yl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-(3,5-dimethylphenyl)dibenzofuran-4-amine
SMILESCc1cc(C)cc(N(c2ccc3cc4c(cc3c2)-c2cc3cc(-n5c6ccccc6c6ccccc65)ccc3cc2-4)c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C52H34N2O/c1-31-22-32(2)24-39(23-31)53(50-16-9-13-43-42-12-5-8-17-51(42)55-52(43)50)37-20-18-33-27-44-45-28-34-19-21-38(26-36(34)30-47(45)46(44)29-35(33)25-37)54-48-14-6-3-10-40(48)41-11-4-7-15-49(41)54/h3-30H,1-2H3
InChIKeyFCPMBUVCGRNAGC-UHFFFAOYSA-N
XLogP14.72
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.86
LogP ≤ 514.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(17-carbazol-9-yl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-(3,5-dimethylphenyl)dibenzofuran-4-amine with MolForge

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Related Compounds

N-(17-carbazol-9-yl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-phenyldibenzofuran-4-amine
CID 166032307
N-(16-carbazol-9-yl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 166031741
17-carbazol-9-yl-N-(3,5-dimethylphenyl)-N-(2-methylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 166033213
6-tert-butyl-N-(3-tert-butylphenyl)-N-(16-carbazol-9-yl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)dibenzofuran-4-amine
CID 166031698
N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine
CID 67964581
2-N-dibenzofuran-4-yl-9-naphthalen-2-yl-2-N,4-N,4-N-triphenylcarbazole-2,4-diamine
CID 154965712
N-(5-tert-butyl-2-methylphenyl)-N-(17-carbazol-9-yl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-3-methyldibenzofuran-4-amine
CID 166031918
N-(4-methylphenyl)-N-(16-phenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)dibenzofuran-4-amine
CID 166032751
N-[4-[3-(3-methylcarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 170243694
N-dibenzofuran-4-yl-N-(11,11-diphenylbenzo[b]fluoren-2-yl)-9-phenylcarbazol-3-amine
CID 167036314
6-N,17-N-bis(4-tert-butylphenyl)-6-N,17-N-di(dibenzofuran-4-yl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine
CID 166033162
N-chrysen-1-yl-N-dibenzofuran-4-yl-9-phenylcarbazol-3-amine
CID 170138972

Frequently Asked Questions

What is the IUPAC name of N-(17-carbazol-9-yl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-(3,5-dimethylphenyl)dibenzofuran-4-amine?
The IUPAC name of N-(17-carbazol-9-yl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-(3,5-dimethylphenyl)dibenzofuran-4-amine (CID 166032273) is N-(17-carbazol-9-yl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-(3,5-dimethylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for N-(17-carbazol-9-yl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-(3,5-dimethylphenyl)dibenzofuran-4-amine?
The canonical SMILES for N-(17-carbazol-9-yl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-(3,5-dimethylphenyl)dibenzofuran-4-amine is Cc1cc(C)cc(N(c2ccc3cc4c(cc3c2)-c2cc3cc(-n5c6ccccc6c6ccccc65)ccc3cc2-4)c2cccc3c2oc2ccccc23)c1.
What is the InChIKey of N-(17-carbazol-9-yl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-(3,5-dimethylphenyl)dibenzofuran-4-amine?
The InChIKey is FCPMBUVCGRNAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2O/c1-31-22-32(2)24-39(23-31)53(50-16-9-13-43-42-12-5-8-17-51(42)55-52(43)50)37-20-18-33-27-44-45-28-34-19-21-38(26-36(34)30-47(45)46(44)29-35(33)25-37)54-48-14-6-3-10-40(48)41-11-4-7-15-49(41)54/h3-30H,1-2H3.
What are the key properties of N-(17-carbazol-9-yl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-(3,5-dimethylphenyl)dibenzofuran-4-amine?
N-(17-carbazol-9-yl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-(3,5-dimethylphenyl)dibenzofuran-4-amine has a molecular weight of 702.86 g/mol, XLogP of 14.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(17-carbazol-9-yl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-(3,5-dimethylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 166032273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).