1-[(4-benzo[c]carbazol-7-ylphenyl)methoxy]dibenzothiophen-2-amine

C35H24N2OS — CID 167453058

IUPAC1-[(4-benzo[c]carbazol-7-ylphenyl)methoxy]dibenzothiophen-2-amine
SMILESNc1ccc2sc3ccccc3c2c1OCc1ccc(-n2c3ccccc3c3c4ccccc4ccc32)cc1
InChIInChI=1S/C35H24N2OS/c36-28-18-20-32-34(27-10-4-6-12-31(27)39-32)35(28)38-21-22-13-16-24(17-14-22)37-29-11-5-3-9-26(29)33-25-8-2-1-7-23(25)15-19-30(33)37/h1-20H,21,36H2
InChIKeyLLHRGYKMQPWATH-UHFFFAOYSA-N
MW520.66 g/mol
LogP9.47
Rot. Bonds4

About 1-[(4-benzo[c]carbazol-7-ylphenyl)methoxy]dibenzothiophen-2-amine

1-[(4-benzo[c]carbazol-7-ylphenyl)methoxy]dibenzothiophen-2-amine (PubChem CID 167453058) has the molecular formula C35H24N2OS and a molecular weight of 520.66 g/mol. Its IUPAC name is 1-[(4-benzo[c]carbazol-7-ylphenyl)methoxy]dibenzothiophen-2-amine.

Molecular Properties

Compound Name1-[(4-benzo[c]carbazol-7-ylphenyl)methoxy]dibenzothiophen-2-amine
PubChem CID167453058
Molecular FormulaC35H24N2OS
Molecular Weight520.66 g/mol
Exact Mass520.16
IUPAC Name1-[(4-benzo[c]carbazol-7-ylphenyl)methoxy]dibenzothiophen-2-amine
SMILESNc1ccc2sc3ccccc3c2c1OCc1ccc(-n2c3ccccc3c3c4ccccc4ccc32)cc1
InChIInChI=1S/C35H24N2OS/c36-28-18-20-32-34(27-10-4-6-12-31(27)39-32)35(28)38-21-22-13-16-24(17-14-22)37-29-11-5-3-9-26(29)33-25-8-2-1-7-23(25)15-19-30(33)37/h1-20H,21,36H2
InChIKeyLLHRGYKMQPWATH-UHFFFAOYSA-N
XLogP9.47
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.66
LogP ≤ 59.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-benzo[c]carbazol-7-ylphenyl)-N-dibenzothiophen-2-yldibenzothiophen-2-amine
CID 167038184
7-(4-carbazol-9-ylphenyl)benzo[c]carbazole
CID 70836917
14-[4-[4-[4-(9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]phenyl]phenyl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 167193395
16-(4-dibenzothiophen-1-ylphenyl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 147064264
7-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]benzo[c]carbazole
CID 20781618
1-[(4-benzo[c]carbazol-7-ylphenyl)methoxy]-3-naphthalen-2-yldibenzofuran-2-amine
CID 167454018
18-carbazol-9-yl-14-naphthalen-2-yl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
CID 122593667
25-(3-carbazol-9-ylphenyl)-10-thia-25-azaheptacyclo[15.11.0.02,14.03,11.04,9.018,26.019,24]octacosa-1(17),2(14),3(11),4,6,8,12,15,18(26),19,21,23,27-tridecaene
CID 142289589
17-benzo[c]carbazol-7-yl-14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
CID 155006696
4-benzo[c]carbazol-7-yl-N,N-bis(4-benzo[c]carbazol-7-ylphenyl)aniline
CID 59103397
14-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 129200115
23-dibenzothiophen-1-yl-12-phenyl-12,23-diazahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene
CID 122465477

Frequently Asked Questions

What is the IUPAC name of 1-[(4-benzo[c]carbazol-7-ylphenyl)methoxy]dibenzothiophen-2-amine?
The IUPAC name of 1-[(4-benzo[c]carbazol-7-ylphenyl)methoxy]dibenzothiophen-2-amine (CID 167453058) is 1-[(4-benzo[c]carbazol-7-ylphenyl)methoxy]dibenzothiophen-2-amine.
What is the SMILES notation for 1-[(4-benzo[c]carbazol-7-ylphenyl)methoxy]dibenzothiophen-2-amine?
The canonical SMILES for 1-[(4-benzo[c]carbazol-7-ylphenyl)methoxy]dibenzothiophen-2-amine is Nc1ccc2sc3ccccc3c2c1OCc1ccc(-n2c3ccccc3c3c4ccccc4ccc32)cc1.
What is the InChIKey of 1-[(4-benzo[c]carbazol-7-ylphenyl)methoxy]dibenzothiophen-2-amine?
The InChIKey is LLHRGYKMQPWATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H24N2OS/c36-28-18-20-32-34(27-10-4-6-12-31(27)39-32)35(28)38-21-22-13-16-24(17-14-22)37-29-11-5-3-9-26(29)33-25-8-2-1-7-23(25)15-19-30(33)37/h1-20H,21,36H2.
What are the key properties of 1-[(4-benzo[c]carbazol-7-ylphenyl)methoxy]dibenzothiophen-2-amine?
1-[(4-benzo[c]carbazol-7-ylphenyl)methoxy]dibenzothiophen-2-amine has a molecular weight of 520.66 g/mol, XLogP of 9.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-benzo[c]carbazol-7-ylphenyl)methoxy]dibenzothiophen-2-amine is sourced from PubChem (CID 167453058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).