9-naphthalen-2-yl-N-naphtho[2,3-b][1]benzofuran-1-yl-N-(3-phenylphenyl)-4b,8a-dihydrocarbazol-2-amine

C50H34N2O — CID 163940002

IUPAC9-naphthalen-2-yl-N-naphtho[2,3-b][1]benzofuran-1-yl-N-(3-phenylphenyl)-4b,8a-dihydrocarbazol-2-amine
SMILESC1=CC2c3ccc(N(c4cccc(-c5ccccc5)c4)c4cccc5oc6cc7ccccc7cc6c45)cc3N(c3ccc4ccccc4c3)C2C=C1
InChIInChI=1S/C50H34N2O/c1-2-12-33(13-3-1)36-18-10-19-39(28-36)51(46-22-11-23-48-50(46)44-30-37-16-6-7-17-38(37)31-49(44)53-48)41-26-27-43-42-20-8-9-21-45(42)52(47(43)32-41)40-25-24-34-14-4-5-15-35(34)29-40/h1-32,42,45H
InChIKeyRQEDQQBZZKUGHI-UHFFFAOYSA-N
MW678.84 g/mol
LogP13.76
Rot. Bonds5

About 9-naphthalen-2-yl-N-naphtho[2,3-b][1]benzofuran-1-yl-N-(3-phenylphenyl)-4b,8a-dihydrocarbazol-2-amine

9-naphthalen-2-yl-N-naphtho[2,3-b][1]benzofuran-1-yl-N-(3-phenylphenyl)-4b,8a-dihydrocarbazol-2-amine (PubChem CID 163940002) has the molecular formula C50H34N2O and a molecular weight of 678.84 g/mol. Its IUPAC name is 9-naphthalen-2-yl-N-naphtho[2,3-b][1]benzofuran-1-yl-N-(3-phenylphenyl)-4b,8a-dihydrocarbazol-2-amine.

Molecular Properties

Compound Name9-naphthalen-2-yl-N-naphtho[2,3-b][1]benzofuran-1-yl-N-(3-phenylphenyl)-4b,8a-dihydrocarbazol-2-amine
PubChem CID163940002
Molecular FormulaC50H34N2O
Molecular Weight678.84 g/mol
Exact Mass678.27
IUPAC Name9-naphthalen-2-yl-N-naphtho[2,3-b][1]benzofuran-1-yl-N-(3-phenylphenyl)-4b,8a-dihydrocarbazol-2-amine
SMILESC1=CC2c3ccc(N(c4cccc(-c5ccccc5)c4)c4cccc5oc6cc7ccccc7cc6c45)cc3N(c3ccc4ccccc4c3)C2C=C1
InChIInChI=1S/C50H34N2O/c1-2-12-33(13-3-1)36-18-10-19-39(28-36)51(46-22-11-23-48-50(46)44-30-37-16-6-7-17-38(37)31-49(44)53-48)41-26-27-43-42-20-8-9-21-45(42)52(47(43)32-41)40-25-24-34-14-4-5-15-35(34)29-40/h1-32,42,45H
InChIKeyRQEDQQBZZKUGHI-UHFFFAOYSA-N
XLogP13.76
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.84
LogP ≤ 513.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]-N-(3-dibenzofuran-3-ylphenyl)-5-naphthalen-2-yl-2-phenylaniline
CID 167234495
N-[4-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 154947238
N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-1-amine
CID 167323696
N-(3,5-diphenylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 167324369
N-dibenzofuran-2-yl-11-phenyl-N-(3-phenylphenyl)-6b,10a-dihydrobenzo[a]carbazol-2-amine
CID 175614953
N-[4-(7-phenylnaphthalen-2-yl)phenyl]-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 154605841
N-(4-naphthalen-2-ylphenyl)-2-naphtho[2,3-b][1]benzofuran-1-yl-N-(4-phenylphenyl)aniline
CID 174271399
8-N-dibenzofuran-3-yl-8-N-(4-naphthalen-2-ylphenyl)-1-N,1-N-diphenyldibenzofuran-1,8-diamine
CID 146573619
N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 166566100
N-naphthalen-1-yl-N-(3-naphthalen-2-ylphenyl)naphtho[2,3-b][1]benzofuran-2-amine
CID 170272586
N-[3-[3-(N-dibenzofuran-1-yl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 167086811
1-N,1-N,4-N-triphenyl-4-N-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1,4-diamine
CID 166856777

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-2-yl-N-naphtho[2,3-b][1]benzofuran-1-yl-N-(3-phenylphenyl)-4b,8a-dihydrocarbazol-2-amine?
The IUPAC name of 9-naphthalen-2-yl-N-naphtho[2,3-b][1]benzofuran-1-yl-N-(3-phenylphenyl)-4b,8a-dihydrocarbazol-2-amine (CID 163940002) is 9-naphthalen-2-yl-N-naphtho[2,3-b][1]benzofuran-1-yl-N-(3-phenylphenyl)-4b,8a-dihydrocarbazol-2-amine.
What is the SMILES notation for 9-naphthalen-2-yl-N-naphtho[2,3-b][1]benzofuran-1-yl-N-(3-phenylphenyl)-4b,8a-dihydrocarbazol-2-amine?
The canonical SMILES for 9-naphthalen-2-yl-N-naphtho[2,3-b][1]benzofuran-1-yl-N-(3-phenylphenyl)-4b,8a-dihydrocarbazol-2-amine is C1=CC2c3ccc(N(c4cccc(-c5ccccc5)c4)c4cccc5oc6cc7ccccc7cc6c45)cc3N(c3ccc4ccccc4c3)C2C=C1.
What is the InChIKey of 9-naphthalen-2-yl-N-naphtho[2,3-b][1]benzofuran-1-yl-N-(3-phenylphenyl)-4b,8a-dihydrocarbazol-2-amine?
The InChIKey is RQEDQQBZZKUGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N2O/c1-2-12-33(13-3-1)36-18-10-19-39(28-36)51(46-22-11-23-48-50(46)44-30-37-16-6-7-17-38(37)31-49(44)53-48)41-26-27-43-42-20-8-9-21-45(42)52(47(43)32-41)40-25-24-34-14-4-5-15-35(34)29-40/h1-32,42,45H.
What are the key properties of 9-naphthalen-2-yl-N-naphtho[2,3-b][1]benzofuran-1-yl-N-(3-phenylphenyl)-4b,8a-dihydrocarbazol-2-amine?
9-naphthalen-2-yl-N-naphtho[2,3-b][1]benzofuran-1-yl-N-(3-phenylphenyl)-4b,8a-dihydrocarbazol-2-amine has a molecular weight of 678.84 g/mol, XLogP of 13.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-naphthalen-2-yl-N-naphtho[2,3-b][1]benzofuran-1-yl-N-(3-phenylphenyl)-4b,8a-dihydrocarbazol-2-amine is sourced from PubChem (CID 163940002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).