N-(4-dibenzothiophen-2-ylphenyl)-N-phenanthren-3-ylnaphtho[2,1-b][1]benzofuran-6-amine

C48H29NOS — CID 168809799

IUPACN-(4-dibenzothiophen-2-ylphenyl)-N-phenanthren-3-ylnaphtho[2,1-b][1]benzofuran-6-amine
SMILESc1ccc2c(c1)ccc1ccc(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3cc4ccccc4c4c3oc3ccccc34)cc12
InChIInChI=1S/C48H29NOS/c1-3-11-37-31(9-1)17-18-32-21-25-36(29-41(32)37)49(43-28-34-10-2-4-12-38(34)47-40-14-5-7-15-44(40)50-48(43)47)35-23-19-30(20-24-35)33-22-26-46-42(27-33)39-13-6-8-16-45(39)51-46/h1-29H
InChIKeyRQHLKEAHJOVCND-UHFFFAOYSA-N
MW667.83 g/mol
LogP14.55
Rot. Bonds4

About N-(4-dibenzothiophen-2-ylphenyl)-N-phenanthren-3-ylnaphtho[2,1-b][1]benzofuran-6-amine

N-(4-dibenzothiophen-2-ylphenyl)-N-phenanthren-3-ylnaphtho[2,1-b][1]benzofuran-6-amine (PubChem CID 168809799) has the molecular formula C48H29NOS and a molecular weight of 667.83 g/mol. Its IUPAC name is N-(4-dibenzothiophen-2-ylphenyl)-N-phenanthren-3-ylnaphtho[2,1-b][1]benzofuran-6-amine.

Molecular Properties

Compound NameN-(4-dibenzothiophen-2-ylphenyl)-N-phenanthren-3-ylnaphtho[2,1-b][1]benzofuran-6-amine
PubChem CID168809799
Molecular FormulaC48H29NOS
Molecular Weight667.83 g/mol
Exact Mass667.20
IUPAC NameN-(4-dibenzothiophen-2-ylphenyl)-N-phenanthren-3-ylnaphtho[2,1-b][1]benzofuran-6-amine
SMILESc1ccc2c(c1)ccc1ccc(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3cc4ccccc4c4c3oc3ccccc34)cc12
InChIInChI=1S/C48H29NOS/c1-3-11-37-31(9-1)17-18-32-21-25-36(29-41(32)37)49(43-28-34-10-2-4-12-38(34)47-40-14-5-7-15-44(40)50-48(43)47)35-23-19-30(20-24-35)33-22-26-46-42(27-33)39-13-6-8-16-45(39)51-46/h1-29H
InChIKeyRQHLKEAHJOVCND-UHFFFAOYSA-N
XLogP14.55
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.83
LogP ≤ 514.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-dibenzothiophen-2-yl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-6-amine
CID 170032563
N-(4-dibenzothiophen-4-ylphenyl)-N-phenanthren-3-ylnaphtho[2,1-b][1]benzofuran-6-amine
CID 168809658
N-(4-dibenzothiophen-2-ylphenyl)-N-phenanthren-2-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820649
N-dibenzothiophen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)dibenzothiophen-3-amine
CID 170031847
N-dibenzothiophen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)dibenzothiophen-2-amine
CID 170032426
4-N-dibenzothiophen-2-yl-4-N-phenyl-1-N,1-N-bis(4-phenylphenyl)dibenzofuran-1,4-diamine
CID 170043743
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]phenanthren-1-amine
CID 176820875
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]phenanthren-3-amine
CID 168804904
6-N-dibenzofuran-2-yl-10-N-dibenzothiophen-3-yl-6-N,10-N-diphenylnaphtho[2,1-b][1]benzofuran-6,10-diamine
CID 167208628
N-(4-dibenzothiophen-2-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-7-amine
CID 171737614
N-(3-dibenzothiophen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171739447
N-(4-dibenzothiophen-2-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-phenylaniline
CID 167330057

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-2-ylphenyl)-N-phenanthren-3-ylnaphtho[2,1-b][1]benzofuran-6-amine?
The IUPAC name of N-(4-dibenzothiophen-2-ylphenyl)-N-phenanthren-3-ylnaphtho[2,1-b][1]benzofuran-6-amine (CID 168809799) is N-(4-dibenzothiophen-2-ylphenyl)-N-phenanthren-3-ylnaphtho[2,1-b][1]benzofuran-6-amine.
What is the SMILES notation for N-(4-dibenzothiophen-2-ylphenyl)-N-phenanthren-3-ylnaphtho[2,1-b][1]benzofuran-6-amine?
The canonical SMILES for N-(4-dibenzothiophen-2-ylphenyl)-N-phenanthren-3-ylnaphtho[2,1-b][1]benzofuran-6-amine is c1ccc2c(c1)ccc1ccc(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3cc4ccccc4c4c3oc3ccccc34)cc12.
What is the InChIKey of N-(4-dibenzothiophen-2-ylphenyl)-N-phenanthren-3-ylnaphtho[2,1-b][1]benzofuran-6-amine?
The InChIKey is RQHLKEAHJOVCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29NOS/c1-3-11-37-31(9-1)17-18-32-21-25-36(29-41(32)37)49(43-28-34-10-2-4-12-38(34)47-40-14-5-7-15-44(40)50-48(43)47)35-23-19-30(20-24-35)33-22-26-46-42(27-33)39-13-6-8-16-45(39)51-46/h1-29H.
What are the key properties of N-(4-dibenzothiophen-2-ylphenyl)-N-phenanthren-3-ylnaphtho[2,1-b][1]benzofuran-6-amine?
N-(4-dibenzothiophen-2-ylphenyl)-N-phenanthren-3-ylnaphtho[2,1-b][1]benzofuran-6-amine has a molecular weight of 667.83 g/mol, XLogP of 14.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzothiophen-2-ylphenyl)-N-phenanthren-3-ylnaphtho[2,1-b][1]benzofuran-6-amine is sourced from PubChem (CID 168809799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).