N-dibenzothiophen-3-yl-N-naphtho[2,3-b][1]benzothiol-1-yl-11-phenylbenzo[a]carbazol-8-amine

C50H30N2S2 — CID 166997186

IUPACN-dibenzothiophen-3-yl-N-naphtho[2,3-b][1]benzothiol-1-yl-11-phenylbenzo[a]carbazol-8-amine
SMILESc1ccc(-n2c3ccc(N(c4ccc5c(c4)sc4ccccc45)c4cccc5sc6cc7ccccc7cc6c45)cc3c3ccc4ccccc4c32)cc1
InChIInChI=1S/C50H30N2S2/c1-2-14-34(15-3-1)52-43-26-23-35(29-41(43)40-24-21-31-11-6-7-16-37(31)50(40)52)51(36-22-25-39-38-17-8-9-19-45(38)53-48(39)30-36)44-18-10-20-46-49(44)42-27-32-12-4-5-13-33(32)28-47(42)54-46/h1-30H
InChIKeyJNTQAWVJXATMKX-UHFFFAOYSA-N
MW722.94 g/mol
LogP15.30
Rot. Bonds4

About N-dibenzothiophen-3-yl-N-naphtho[2,3-b][1]benzothiol-1-yl-11-phenylbenzo[a]carbazol-8-amine

N-dibenzothiophen-3-yl-N-naphtho[2,3-b][1]benzothiol-1-yl-11-phenylbenzo[a]carbazol-8-amine (PubChem CID 166997186) has the molecular formula C50H30N2S2 and a molecular weight of 722.94 g/mol. Its IUPAC name is N-dibenzothiophen-3-yl-N-naphtho[2,3-b][1]benzothiol-1-yl-11-phenylbenzo[a]carbazol-8-amine.

Molecular Properties

Compound NameN-dibenzothiophen-3-yl-N-naphtho[2,3-b][1]benzothiol-1-yl-11-phenylbenzo[a]carbazol-8-amine
PubChem CID166997186
Molecular FormulaC50H30N2S2
Molecular Weight722.94 g/mol
Exact Mass722.19
IUPAC NameN-dibenzothiophen-3-yl-N-naphtho[2,3-b][1]benzothiol-1-yl-11-phenylbenzo[a]carbazol-8-amine
SMILESc1ccc(-n2c3ccc(N(c4ccc5c(c4)sc4ccccc45)c4cccc5sc6cc7ccccc7cc6c45)cc3c3ccc4ccccc4c32)cc1
InChIInChI=1S/C50H30N2S2/c1-2-14-34(15-3-1)52-43-26-23-35(29-41(43)40-24-21-31-11-6-7-16-37(31)50(40)52)51(36-22-25-39-38-17-8-9-19-45(38)53-48(39)30-36)44-18-10-20-46-49(44)42-27-32-12-4-5-13-33(32)28-47(42)54-46/h1-30H
InChIKeyJNTQAWVJXATMKX-UHFFFAOYSA-N
XLogP15.30
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.94
LogP ≤ 515.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-dibenzothiophen-3-yl-N-naphtho[2,3-b][1]benzothiol-1-yl-11-phenylbenzo[a]carbazol-9-amine
CID 165018237
N-chrysen-3-yl-N-dibenzothiophen-1-yl-9-phenylcarbazol-3-amine
CID 170138626
N-(4-naphthalen-2-ylphenyl)-N-naphtho[2,3-b][1]benzothiol-1-yl-9-phenylcarbazol-3-amine
CID 163883658
N-benzo[c]phenanthren-1-yl-N-dibenzothiophen-3-yl-9-phenylcarbazol-1-amine
CID 167181846
N-naphtho[2,3-b][1]benzothiol-3-yl-11-phenyl-N-(4-phenylnaphthalen-2-yl)benzo[a]carbazol-8-amine
CID 166997190
N-dibenzothiophen-1-yl-N-naphtho[1,2-b][1]benzothiol-9-yl-6,8,9-triphenylcarbazol-3-amine
CID 177286557
N-dibenzothiophen-1-yl-5-phenyl-N-(4-phenylphenyl)benzo[b]carbazol-2-amine
CID 163581433
N-chrysen-1-yl-N-dibenzothiophen-2-yl-9-phenylcarbazol-3-amine
CID 170139043
N-naphtho[2,3-b][1]benzothiol-1-yl-9-phenyl-N-(4-phenylnaphthalen-1-yl)carbazol-3-amine
CID 166997472
N-chrysen-6-yl-N-dibenzothiophen-3-yl-9-phenylcarbazol-1-amine
CID 170138393
2-N-dibenzothiophen-1-yl-2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine;2-N,4-N-di(dibenzothiophen-3-yl)-2-N,4-N,9-triphenylcarbazole-2,4-diamine;2-N-naphtho[2,3-b][1]benzothiol-2-yl-2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine;2-N-naphtho[2,3-b][1]benzothiol-3-yl-2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine
CID 160812131
N-chrysen-1-yl-N-dibenzothiophen-3-yl-9-phenylcarbazol-2-amine
CID 170138992

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-3-yl-N-naphtho[2,3-b][1]benzothiol-1-yl-11-phenylbenzo[a]carbazol-8-amine?
The IUPAC name of N-dibenzothiophen-3-yl-N-naphtho[2,3-b][1]benzothiol-1-yl-11-phenylbenzo[a]carbazol-8-amine (CID 166997186) is N-dibenzothiophen-3-yl-N-naphtho[2,3-b][1]benzothiol-1-yl-11-phenylbenzo[a]carbazol-8-amine.
What is the SMILES notation for N-dibenzothiophen-3-yl-N-naphtho[2,3-b][1]benzothiol-1-yl-11-phenylbenzo[a]carbazol-8-amine?
The canonical SMILES for N-dibenzothiophen-3-yl-N-naphtho[2,3-b][1]benzothiol-1-yl-11-phenylbenzo[a]carbazol-8-amine is c1ccc(-n2c3ccc(N(c4ccc5c(c4)sc4ccccc45)c4cccc5sc6cc7ccccc7cc6c45)cc3c3ccc4ccccc4c32)cc1.
What is the InChIKey of N-dibenzothiophen-3-yl-N-naphtho[2,3-b][1]benzothiol-1-yl-11-phenylbenzo[a]carbazol-8-amine?
The InChIKey is JNTQAWVJXATMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N2S2/c1-2-14-34(15-3-1)52-43-26-23-35(29-41(43)40-24-21-31-11-6-7-16-37(31)50(40)52)51(36-22-25-39-38-17-8-9-19-45(38)53-48(39)30-36)44-18-10-20-46-49(44)42-27-32-12-4-5-13-33(32)28-47(42)54-46/h1-30H.
What are the key properties of N-dibenzothiophen-3-yl-N-naphtho[2,3-b][1]benzothiol-1-yl-11-phenylbenzo[a]carbazol-8-amine?
N-dibenzothiophen-3-yl-N-naphtho[2,3-b][1]benzothiol-1-yl-11-phenylbenzo[a]carbazol-8-amine has a molecular weight of 722.94 g/mol, XLogP of 15.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-3-yl-N-naphtho[2,3-b][1]benzothiol-1-yl-11-phenylbenzo[a]carbazol-8-amine is sourced from PubChem (CID 166997186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).