N-(4-naphthalen-1-ylphenyl)-N-[4-[4-(12-phenylnaphtho[1,2-b]indolizin-4-yl)phenyl]phenyl]dibenzofuran-1-amine

C62H40N2O — CID 146509212

IUPACN-(4-naphthalen-1-ylphenyl)-N-[4-[4-(12-phenylnaphtho[1,2-b]indolizin-4-yl)phenyl]phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2c3c4cccc(-c5ccc(-c6ccc(N(c7ccc(-c8cccc9ccccc89)cc7)c7cccc8oc9ccccc9c78)cc6)cc5)c4ccc3n3ccccc23)cc1
InChIInChI=1S/C62H40N2O/c1-2-14-46(15-3-1)60-55-22-8-9-40-63(55)56-39-38-52-51(20-11-21-53(52)62(56)60)44-28-26-41(27-29-44)42-30-34-47(35-31-42)64(57-23-12-25-59-61(57)54-18-6-7-24-58(54)65-59)48-36-32-45(33-37-48)50-19-10-16-43-13-4-5-17-49(43)50/h1-40H
InChIKeyGYCLXPZBBXZOJI-UHFFFAOYSA-N
MW829.02 g/mol
LogP17.44
Rot. Bonds7

About N-(4-naphthalen-1-ylphenyl)-N-[4-[4-(12-phenylnaphtho[1,2-b]indolizin-4-yl)phenyl]phenyl]dibenzofuran-1-amine

N-(4-naphthalen-1-ylphenyl)-N-[4-[4-(12-phenylnaphtho[1,2-b]indolizin-4-yl)phenyl]phenyl]dibenzofuran-1-amine (PubChem CID 146509212) has the molecular formula C62H40N2O and a molecular weight of 829.02 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-N-[4-[4-(12-phenylnaphtho[1,2-b]indolizin-4-yl)phenyl]phenyl]dibenzofuran-1-amine.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylphenyl)-N-[4-[4-(12-phenylnaphtho[1,2-b]indolizin-4-yl)phenyl]phenyl]dibenzofuran-1-amine
PubChem CID146509212
Molecular FormulaC62H40N2O
Molecular Weight829.02 g/mol
Exact Mass828.31
IUPAC NameN-(4-naphthalen-1-ylphenyl)-N-[4-[4-(12-phenylnaphtho[1,2-b]indolizin-4-yl)phenyl]phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2c3c4cccc(-c5ccc(-c6ccc(N(c7ccc(-c8cccc9ccccc89)cc7)c7cccc8oc9ccccc9c78)cc6)cc5)c4ccc3n3ccccc23)cc1
InChIInChI=1S/C62H40N2O/c1-2-14-46(15-3-1)60-55-22-8-9-40-63(55)56-39-38-52-51(20-11-21-53(52)62(56)60)44-28-26-41(27-29-44)42-30-34-47(35-31-42)64(57-23-12-25-59-61(57)54-18-6-7-24-58(54)65-59)48-36-32-45(33-37-48)50-19-10-16-43-13-4-5-17-49(43)50/h1-40H
InChIKeyGYCLXPZBBXZOJI-UHFFFAOYSA-N
XLogP17.44
TPSA20.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500829.02
LogP ≤ 517.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-3-yl)phenyl]dibenzofuran-1-amine
CID 146508653
N,N-bis(4-naphthalen-1-ylphenyl)-4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)aniline;N-(4-naphthalen-1-ylphenyl)-N-[4-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]phenyl]dibenzofuran-1-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]-4-(4-phenylphenyl)aniline;N,9,9-triphenyl-N-[3-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]phenyl]fluoren-2-amine
CID 162017725
N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine
CID 139355152
N-(4-naphthalen-1-ylphenyl)-N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]dibenzofuran-1-amine
CID 153475737
N-(4-naphthalen-1-ylphenyl)-N-[4-(12-phenylindolo[1,2-b]isoquinolin-4-yl)phenyl]dibenzofuran-1-amine
CID 146508958
N-(4-phenanthren-1-ylphenyl)-N-[4-(4-phenanthren-1-ylphenyl)phenyl]dibenzofuran-1-amine
CID 176810677
N,N-bis(4-naphthalen-1-ylphenyl)-4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-17-yl)aniline;N-dibenzofuran-3-yl-N-[3-[3-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-16-yl)phenyl]phenyl]phenyl]dibenzofuran-3-amine;N,N-diphenyl-4-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-16-yl)phenyl]aniline;N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-17-yl)phenyl]dibenzofuran-1-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-17-yl)phenyl]-4-(4-phenylphenyl)aniline;4-phenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-17-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 160641050
N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 146508892
N-(3-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-1-amine
CID 176810710
N-(4-naphthalen-1-ylphenyl)-N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-7-yl)phenyl]dibenzofuran-1-amine
CID 153475800
N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-3-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 146508947
N-dibenzofuran-3-yl-N-[4-(12-phenylnaphtho[1,2-b]indolizin-4-yl)phenyl]dibenzofuran-3-amine;N-naphthalen-2-yl-9,9-diphenyl-N-[4-(12-phenylnaphtho[1,2-b]indolizin-4-yl)phenyl]fluoren-2-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(12-phenylnaphtho[1,2-b]indolizin-4-yl)phenyl]dibenzothiophen-4-amine;4-phenyl-N-[4-(12-phenylnaphtho[1,2-b]indolizin-4-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 159943101

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-[4-[4-(12-phenylnaphtho[1,2-b]indolizin-4-yl)phenyl]phenyl]dibenzofuran-1-amine?
The IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-[4-[4-(12-phenylnaphtho[1,2-b]indolizin-4-yl)phenyl]phenyl]dibenzofuran-1-amine (CID 146509212) is N-(4-naphthalen-1-ylphenyl)-N-[4-[4-(12-phenylnaphtho[1,2-b]indolizin-4-yl)phenyl]phenyl]dibenzofuran-1-amine.
What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-N-[4-[4-(12-phenylnaphtho[1,2-b]indolizin-4-yl)phenyl]phenyl]dibenzofuran-1-amine?
The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-N-[4-[4-(12-phenylnaphtho[1,2-b]indolizin-4-yl)phenyl]phenyl]dibenzofuran-1-amine is c1ccc(-c2c3c4cccc(-c5ccc(-c6ccc(N(c7ccc(-c8cccc9ccccc89)cc7)c7cccc8oc9ccccc9c78)cc6)cc5)c4ccc3n3ccccc23)cc1.
What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-N-[4-[4-(12-phenylnaphtho[1,2-b]indolizin-4-yl)phenyl]phenyl]dibenzofuran-1-amine?
The InChIKey is GYCLXPZBBXZOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H40N2O/c1-2-14-46(15-3-1)60-55-22-8-9-40-63(55)56-39-38-52-51(20-11-21-53(52)62(56)60)44-28-26-41(27-29-44)42-30-34-47(35-31-42)64(57-23-12-25-59-61(57)54-18-6-7-24-58(54)65-59)48-36-32-45(33-37-48)50-19-10-16-43-13-4-5-17-49(43)50/h1-40H.
What are the key properties of N-(4-naphthalen-1-ylphenyl)-N-[4-[4-(12-phenylnaphtho[1,2-b]indolizin-4-yl)phenyl]phenyl]dibenzofuran-1-amine?
N-(4-naphthalen-1-ylphenyl)-N-[4-[4-(12-phenylnaphtho[1,2-b]indolizin-4-yl)phenyl]phenyl]dibenzofuran-1-amine has a molecular weight of 829.02 g/mol, XLogP of 17.44, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-1-ylphenyl)-N-[4-[4-(12-phenylnaphtho[1,2-b]indolizin-4-yl)phenyl]phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 146509212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).