N,N-bis(naphtho[1,2-b][1]benzofuran-10-yl)-9-phenylcarbazol-4-amine

C50H30N2O2 — CID 177121353

IUPACN,N-bis(naphtho[1,2-b][1]benzofuran-10-yl)-9-phenylcarbazol-4-amine
SMILESc1ccc(-n2c3ccccc3c3c(N(c4cccc5c4oc4c6ccccc6ccc54)c4cccc5c4oc4c6ccccc6ccc54)cccc32)cc1
InChIInChI=1S/C50H30N2O2/c1-2-15-33(16-3-1)51-41-22-9-8-19-40(41)46-42(51)23-12-24-43(46)52(44-25-10-20-36-38-29-27-31-13-4-6-17-34(31)47(38)53-49(36)44)45-26-11-21-37-39-30-28-32-14-5-7-18-35(32)48(39)54-50(37)45/h1-30H
InChIKeyDZFWUPFNRXBBDV-UHFFFAOYSA-N
MW690.80 g/mol
LogP14.36
Rot. Bonds4

About N,N-bis(naphtho[1,2-b][1]benzofuran-10-yl)-9-phenylcarbazol-4-amine

N,N-bis(naphtho[1,2-b][1]benzofuran-10-yl)-9-phenylcarbazol-4-amine (PubChem CID 177121353) has the molecular formula C50H30N2O2 and a molecular weight of 690.80 g/mol. Its IUPAC name is N,N-bis(naphtho[1,2-b][1]benzofuran-10-yl)-9-phenylcarbazol-4-amine.

Molecular Properties

Compound NameN,N-bis(naphtho[1,2-b][1]benzofuran-10-yl)-9-phenylcarbazol-4-amine
PubChem CID177121353
Molecular FormulaC50H30N2O2
Molecular Weight690.80 g/mol
Exact Mass690.23
IUPAC NameN,N-bis(naphtho[1,2-b][1]benzofuran-10-yl)-9-phenylcarbazol-4-amine
SMILESc1ccc(-n2c3ccccc3c3c(N(c4cccc5c4oc4c6ccccc6ccc54)c4cccc5c4oc4c6ccccc6ccc54)cccc32)cc1
InChIInChI=1S/C50H30N2O2/c1-2-15-33(16-3-1)51-41-22-9-8-19-40(41)46-42(51)23-12-24-43(46)52(44-25-10-20-36-38-29-27-31-13-4-6-17-34(31)47(38)53-49(36)44)45-26-11-21-37-39-30-28-32-14-5-7-18-35(32)48(39)54-50(37)45/h1-30H
InChIKeyDZFWUPFNRXBBDV-UHFFFAOYSA-N
XLogP14.36
TPSA34.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.80
LogP ≤ 514.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-dibenzothiophen-3-ylphenyl)-N-naphtho[1,2-b][1]benzofuran-10-yl-9-phenylcarbazol-4-amine
CID 177122068
N-naphtho[1,2-b][1]benzofuran-7-yl-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine
CID 171737667
N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-9-phenylcarbazol-4-amine
CID 177121504
N-naphtho[1,2-b][1]benzofuran-10-yl-9-phenyl-N-(4-phenylnaphthalen-1-yl)carbazol-3-amine
CID 166997166
N-phenanthren-3-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 168809606
N-phenanthren-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 167278254
9-phenyl-N-(9-phenylcarbazol-4-yl)-N-(6-phenyldibenzofuran-4-yl)carbazol-2-amine
CID 170286483
N-dibenzofuran-4-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737323
N-naphtho[1,2-b][1]benzofuran-7-yl-N,9-diphenylcarbazol-2-amine
CID 171738403
N-chrysen-4-yl-N-dibenzofuran-4-yl-9-phenylcarbazol-1-amine
CID 170138971
4-N-naphtho[1,2-b][1]benzofuran-10-yl-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine
CID 170372536
N-dibenzofuran-4-yl-N-[3-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738551

Frequently Asked Questions

What is the IUPAC name of N,N-bis(naphtho[1,2-b][1]benzofuran-10-yl)-9-phenylcarbazol-4-amine?
The IUPAC name of N,N-bis(naphtho[1,2-b][1]benzofuran-10-yl)-9-phenylcarbazol-4-amine (CID 177121353) is N,N-bis(naphtho[1,2-b][1]benzofuran-10-yl)-9-phenylcarbazol-4-amine.
What is the SMILES notation for N,N-bis(naphtho[1,2-b][1]benzofuran-10-yl)-9-phenylcarbazol-4-amine?
The canonical SMILES for N,N-bis(naphtho[1,2-b][1]benzofuran-10-yl)-9-phenylcarbazol-4-amine is c1ccc(-n2c3ccccc3c3c(N(c4cccc5c4oc4c6ccccc6ccc54)c4cccc5c4oc4c6ccccc6ccc54)cccc32)cc1.
What is the InChIKey of N,N-bis(naphtho[1,2-b][1]benzofuran-10-yl)-9-phenylcarbazol-4-amine?
The InChIKey is DZFWUPFNRXBBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N2O2/c1-2-15-33(16-3-1)51-41-22-9-8-19-40(41)46-42(51)23-12-24-43(46)52(44-25-10-20-36-38-29-27-31-13-4-6-17-34(31)47(38)53-49(36)44)45-26-11-21-37-39-30-28-32-14-5-7-18-35(32)48(39)54-50(37)45/h1-30H.
What are the key properties of N,N-bis(naphtho[1,2-b][1]benzofuran-10-yl)-9-phenylcarbazol-4-amine?
N,N-bis(naphtho[1,2-b][1]benzofuran-10-yl)-9-phenylcarbazol-4-amine has a molecular weight of 690.80 g/mol, XLogP of 14.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(naphtho[1,2-b][1]benzofuran-10-yl)-9-phenylcarbazol-4-amine is sourced from PubChem (CID 177121353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).