N-[4-[6-([1]benzofuro[3,2-c]carbazol-5-yl)-1,2-dihydrocarbazol-9-yl]phenyl]-N-(3-methylcyclohexa-1,5-dien-1-yl)naphthalen-2-amine

C53H39N3O — CID 144601209

IUPACN-[4-[6-([1]benzofuro[3,2-c]carbazol-5-yl)-1,2-dihydrocarbazol-9-yl]phenyl]-N-(3-methylcyclohexa-1,5-dien-1-yl)naphthalen-2-amine
SMILESCC1C=C(N(c2ccc(-n3c4c(c5cc(-n6c7ccccc7c7c8oc9ccccc9c8ccc76)ccc53)C=CCC4)cc2)c2ccc3ccccc3c2)C=CC1
InChIInChI=1S/C53H39N3O/c1-34-11-10-14-39(31-34)54(40-22-21-35-12-2-3-13-36(35)32-40)37-23-25-38(26-24-37)55-47-18-7-4-15-42(47)46-33-41(27-29-49(46)55)56-48-19-8-5-17-45(48)52-50(56)30-28-44-43-16-6-9-20-51(43)57-53(44)52/h2-6,8-10,12-17,19-34H,7,11,18H2,1H3
InChIKeyGCHXMGMOELXQPR-UHFFFAOYSA-N
MW733.92 g/mol
LogP14.36
Rot. Bonds5

About N-[4-[6-([1]benzofuro[3,2-c]carbazol-5-yl)-1,2-dihydrocarbazol-9-yl]phenyl]-N-(3-methylcyclohexa-1,5-dien-1-yl)naphthalen-2-amine

N-[4-[6-([1]benzofuro[3,2-c]carbazol-5-yl)-1,2-dihydrocarbazol-9-yl]phenyl]-N-(3-methylcyclohexa-1,5-dien-1-yl)naphthalen-2-amine (PubChem CID 144601209) has the molecular formula C53H39N3O and a molecular weight of 733.92 g/mol. Its IUPAC name is N-[4-[6-([1]benzofuro[3,2-c]carbazol-5-yl)-1,2-dihydrocarbazol-9-yl]phenyl]-N-(3-methylcyclohexa-1,5-dien-1-yl)naphthalen-2-amine.

Molecular Properties

Compound NameN-[4-[6-([1]benzofuro[3,2-c]carbazol-5-yl)-1,2-dihydrocarbazol-9-yl]phenyl]-N-(3-methylcyclohexa-1,5-dien-1-yl)naphthalen-2-amine
PubChem CID144601209
Molecular FormulaC53H39N3O
Molecular Weight733.92 g/mol
Exact Mass733.31
IUPAC NameN-[4-[6-([1]benzofuro[3,2-c]carbazol-5-yl)-1,2-dihydrocarbazol-9-yl]phenyl]-N-(3-methylcyclohexa-1,5-dien-1-yl)naphthalen-2-amine
SMILESCC1C=C(N(c2ccc(-n3c4c(c5cc(-n6c7ccccc7c7c8oc9ccccc9c8ccc76)ccc53)C=CCC4)cc2)c2ccc3ccccc3c2)C=CC1
InChIInChI=1S/C53H39N3O/c1-34-11-10-14-39(31-34)54(40-22-21-35-12-2-3-13-36(35)32-40)37-23-25-38(26-24-37)55-47-18-7-4-15-42(47)46-33-41(27-29-49(46)55)56-48-19-8-5-17-45(48)52-50(56)30-28-44-43-16-6-9-20-51(43)57-53(44)52/h2-6,8-10,12-17,19-34H,7,11,18H2,1H3
InChIKeyGCHXMGMOELXQPR-UHFFFAOYSA-N
XLogP14.36
TPSA26.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.92
LogP ≤ 514.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[4-[6-([1]benzofuro[3,2-c]carbazol-5-yl)-1,2-dihydrocarbazol-9-yl]phenyl]-N-(3-methylcyclohexa-1,5-dien-1-yl)naphthalen-2-amine with MolForge

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Related Compounds

3-N-(4a,9a-dihydroanthracen-2-yl)-6-N-anthracen-2-yl-9-phenyl-6-N-(9-phenylcarbazol-3-yl)-3-N-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole-3,6-diamine
CID 89234878
9-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-3-(1,2-dihydrocarbazol-9-yl)carbazole
CID 67121591
2-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-5-[2-(1,2-dihydrocarbazol-9-yl)-[1]benzofuro[3,2-c]carbazol-5-yl]cyclohepta-1,3,5-triene-1,4-dicarbonitrile
CID 155417163
4-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylanilino)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(1,2-dihydrocarbazol-9-yl)phenyl]aniline
CID 88590520
24-[4-(6-methyl-5,6-dihydrotriphenylen-2-yl)phenyl]-15-naphthalen-2-yl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene
CID 126677998
6-(5-dibenzofuran-2-yl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl)-9-phenyl-1,2-dihydrocarbazole
CID 163554857
N-[4-[4-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 155323237
6-dibenzofuran-2-yl-24-(5,6-dihydronaphthalen-1-yl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;ethane
CID 144604354
4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-1-amine
CID 135164574
5-[2-[3-(1,2-dihydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 126695503
24-(6,7-dihydrodibenzofuran-2-yl)-6-(9-phenylcarbazol-3-yl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),19,21,26-undecaene
CID 163597803
N-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-N,4-diphenylaniline
CID 130230934

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-([1]benzofuro[3,2-c]carbazol-5-yl)-1,2-dihydrocarbazol-9-yl]phenyl]-N-(3-methylcyclohexa-1,5-dien-1-yl)naphthalen-2-amine?
The IUPAC name of N-[4-[6-([1]benzofuro[3,2-c]carbazol-5-yl)-1,2-dihydrocarbazol-9-yl]phenyl]-N-(3-methylcyclohexa-1,5-dien-1-yl)naphthalen-2-amine (CID 144601209) is N-[4-[6-([1]benzofuro[3,2-c]carbazol-5-yl)-1,2-dihydrocarbazol-9-yl]phenyl]-N-(3-methylcyclohexa-1,5-dien-1-yl)naphthalen-2-amine.
What is the SMILES notation for N-[4-[6-([1]benzofuro[3,2-c]carbazol-5-yl)-1,2-dihydrocarbazol-9-yl]phenyl]-N-(3-methylcyclohexa-1,5-dien-1-yl)naphthalen-2-amine?
The canonical SMILES for N-[4-[6-([1]benzofuro[3,2-c]carbazol-5-yl)-1,2-dihydrocarbazol-9-yl]phenyl]-N-(3-methylcyclohexa-1,5-dien-1-yl)naphthalen-2-amine is CC1C=C(N(c2ccc(-n3c4c(c5cc(-n6c7ccccc7c7c8oc9ccccc9c8ccc76)ccc53)C=CCC4)cc2)c2ccc3ccccc3c2)C=CC1.
What is the InChIKey of N-[4-[6-([1]benzofuro[3,2-c]carbazol-5-yl)-1,2-dihydrocarbazol-9-yl]phenyl]-N-(3-methylcyclohexa-1,5-dien-1-yl)naphthalen-2-amine?
The InChIKey is GCHXMGMOELXQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H39N3O/c1-34-11-10-14-39(31-34)54(40-22-21-35-12-2-3-13-36(35)32-40)37-23-25-38(26-24-37)55-47-18-7-4-15-42(47)46-33-41(27-29-49(46)55)56-48-19-8-5-17-45(48)52-50(56)30-28-44-43-16-6-9-20-51(43)57-53(44)52/h2-6,8-10,12-17,19-34H,7,11,18H2,1H3.
What are the key properties of N-[4-[6-([1]benzofuro[3,2-c]carbazol-5-yl)-1,2-dihydrocarbazol-9-yl]phenyl]-N-(3-methylcyclohexa-1,5-dien-1-yl)naphthalen-2-amine?
N-[4-[6-([1]benzofuro[3,2-c]carbazol-5-yl)-1,2-dihydrocarbazol-9-yl]phenyl]-N-(3-methylcyclohexa-1,5-dien-1-yl)naphthalen-2-amine has a molecular weight of 733.92 g/mol, XLogP of 14.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-([1]benzofuro[3,2-c]carbazol-5-yl)-1,2-dihydrocarbazol-9-yl]phenyl]-N-(3-methylcyclohexa-1,5-dien-1-yl)naphthalen-2-amine is sourced from PubChem (CID 144601209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).