N-[4-(10-naphthalen-2-yl-12-phenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzothiophen-3-amine

C58H36N2OS — CID 170369705

IUPACN-[4-(10-naphthalen-2-yl-12-phenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzothiophen-3-amine
SMILESc1ccc(-c2c3c(cc4c2c2cc(-c5ccc6ccccc6c5)ccc2n4-c2ccc(N(c4ccccc4)c4ccc5c(c4)sc4ccccc45)cc2)oc2ccccc23)cc1
InChIInChI=1S/C58H36N2OS/c1-3-14-38(15-4-1)56-57-49-34-41(40-24-23-37-13-7-8-16-39(37)33-40)25-32-50(49)60(51(57)36-53-58(56)48-20-9-11-21-52(48)61-53)44-28-26-43(27-29-44)59(42-17-5-2-6-18-42)45-30-31-47-46-19-10-12-22-54(46)62-55(47)35-45/h1-36H
InChIKeyLIJBBZZGRGARJT-UHFFFAOYSA-N
MW809.01 g/mol
LogP17.01
Rot. Bonds6

About N-[4-(10-naphthalen-2-yl-12-phenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzothiophen-3-amine

N-[4-(10-naphthalen-2-yl-12-phenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzothiophen-3-amine (PubChem CID 170369705) has the molecular formula C58H36N2OS and a molecular weight of 809.01 g/mol. Its IUPAC name is N-[4-(10-naphthalen-2-yl-12-phenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzothiophen-3-amine.

Molecular Properties

Compound NameN-[4-(10-naphthalen-2-yl-12-phenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzothiophen-3-amine
PubChem CID170369705
Molecular FormulaC58H36N2OS
Molecular Weight809.01 g/mol
Exact Mass808.25
IUPAC NameN-[4-(10-naphthalen-2-yl-12-phenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzothiophen-3-amine
SMILESc1ccc(-c2c3c(cc4c2c2cc(-c5ccc6ccccc6c5)ccc2n4-c2ccc(N(c4ccccc4)c4ccc5c(c4)sc4ccccc45)cc2)oc2ccccc23)cc1
InChIInChI=1S/C58H36N2OS/c1-3-14-38(15-4-1)56-57-49-34-41(40-24-23-37-13-7-8-16-39(37)33-40)25-32-50(49)60(51(57)36-53-58(56)48-20-9-11-21-52(48)61-53)44-28-26-43(27-29-44)59(42-17-5-2-6-18-42)45-30-31-47-46-19-10-12-22-54(46)62-55(47)35-45/h1-36H
InChIKeyLIJBBZZGRGARJT-UHFFFAOYSA-N
XLogP17.01
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500809.01
LogP ≤ 517.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(12-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzothiophen-3-amine
CID 170368958
N-dibenzothiophen-3-yl-N,12-diphenyl-7-(4-phenylphenyl)-[1]benzofuro[2,3-b]carbazol-9-amine
CID 170377101
12-naphthalen-2-yl-N,7-diphenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-b]carbazol-10-amine
CID 170377401
4-(12-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazol-7-yl)-N,N-diphenylaniline
CID 170368945
N-phenyl-N-[3-(22-phenyl-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaen-18-yl)phenyl]dibenzothiophen-3-amine
CID 126621599
N-phenyl-N-[4-(16-phenyl-9-oxa-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaen-20-yl)phenyl]dibenzothiophen-3-amine
CID 126718270
N-[4-(10,12-diphenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenylphenanthren-9-amine
CID 170369620
4-(7,12-diphenyl-[1]benzofuro[2,3-b]carbazol-9-yl)-N,N-diphenylaniline
CID 170376628
N-dibenzothiophen-3-yl-N,22-diphenyl-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaen-18-amine
CID 140918097
N-(4-phenanthren-9-ylphenyl)-N,7,12-triphenyl-[1]benzofuro[2,3-b]carbazol-9-amine
CID 170376619
N-[4-(12-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 170368951
N-[4-(12-dibenzofuran-3-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 170369228

Frequently Asked Questions

What is the IUPAC name of N-[4-(10-naphthalen-2-yl-12-phenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzothiophen-3-amine?
The IUPAC name of N-[4-(10-naphthalen-2-yl-12-phenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzothiophen-3-amine (CID 170369705) is N-[4-(10-naphthalen-2-yl-12-phenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzothiophen-3-amine.
What is the SMILES notation for N-[4-(10-naphthalen-2-yl-12-phenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzothiophen-3-amine?
The canonical SMILES for N-[4-(10-naphthalen-2-yl-12-phenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzothiophen-3-amine is c1ccc(-c2c3c(cc4c2c2cc(-c5ccc6ccccc6c5)ccc2n4-c2ccc(N(c4ccccc4)c4ccc5c(c4)sc4ccccc45)cc2)oc2ccccc23)cc1.
What is the InChIKey of N-[4-(10-naphthalen-2-yl-12-phenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzothiophen-3-amine?
The InChIKey is LIJBBZZGRGARJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N2OS/c1-3-14-38(15-4-1)56-57-49-34-41(40-24-23-37-13-7-8-16-39(37)33-40)25-32-50(49)60(51(57)36-53-58(56)48-20-9-11-21-52(48)61-53)44-28-26-43(27-29-44)59(42-17-5-2-6-18-42)45-30-31-47-46-19-10-12-22-54(46)62-55(47)35-45/h1-36H.
What are the key properties of N-[4-(10-naphthalen-2-yl-12-phenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzothiophen-3-amine?
N-[4-(10-naphthalen-2-yl-12-phenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzothiophen-3-amine has a molecular weight of 809.01 g/mol, XLogP of 17.01, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(10-naphthalen-2-yl-12-phenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzothiophen-3-amine is sourced from PubChem (CID 170369705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).