3-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-1-N-phenyl-5-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)-3-N-(4-phenylphenyl)-1-N-pyridin-4-ylbenzene-1,3-diamine

C65H46N4O — CID 134275324

IUPAC3-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-1-N-phenyl-5-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)-3-N-(4-phenylphenyl)-1-N-pyridin-4-ylbenzene-1,3-diamine
SMILESC1=CC(c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4cc5c6ccccc6n(-c6ccccc6)c5c5oc6ccccc6c45)cc(N(c4ccccc4)c4ccncc4)c3)cc2)=CCC1
InChIInChI=1S/C65H46N4O/c1-5-17-45(18-6-1)47-29-33-52(34-30-47)68(53-35-31-48(32-36-53)46-19-7-2-8-20-46)56-42-49(41-55(43-56)67(50-21-9-3-10-22-50)54-37-39-66-40-38-54)59-44-60-57-25-13-15-27-61(57)69(51-23-11-4-12-24-51)64(60)65-63(59)58-26-14-16-28-62(58)70-65/h1,3-7,9-44H,2,8H2
InChIKeyDMRFKSJXAMHALD-UHFFFAOYSA-N
MW899.11 g/mol
LogP18.09
Rot. Bonds10

About 3-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-1-N-phenyl-5-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)-3-N-(4-phenylphenyl)-1-N-pyridin-4-ylbenzene-1,3-diamine

3-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-1-N-phenyl-5-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)-3-N-(4-phenylphenyl)-1-N-pyridin-4-ylbenzene-1,3-diamine (PubChem CID 134275324) has the molecular formula C65H46N4O and a molecular weight of 899.11 g/mol. Its IUPAC name is 3-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-1-N-phenyl-5-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)-3-N-(4-phenylphenyl)-1-N-pyridin-4-ylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-1-N-phenyl-5-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)-3-N-(4-phenylphenyl)-1-N-pyridin-4-ylbenzene-1,3-diamine
PubChem CID134275324
Molecular FormulaC65H46N4O
Molecular Weight899.11 g/mol
Exact Mass898.37
IUPAC Name3-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-1-N-phenyl-5-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)-3-N-(4-phenylphenyl)-1-N-pyridin-4-ylbenzene-1,3-diamine
SMILESC1=CC(c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4cc5c6ccccc6n(-c6ccccc6)c5c5oc6ccccc6c45)cc(N(c4ccccc4)c4ccncc4)c3)cc2)=CCC1
InChIInChI=1S/C65H46N4O/c1-5-17-45(18-6-1)47-29-33-52(34-30-47)68(53-35-31-48(32-36-53)46-19-7-2-8-20-46)56-42-49(41-55(43-56)67(50-21-9-3-10-22-50)54-37-39-66-40-38-54)59-44-60-57-25-13-15-27-61(57)69(51-23-11-4-12-24-51)64(60)65-63(59)58-26-14-16-28-62(58)70-65/h1,3-7,9-44H,2,8H2
InChIKeyDMRFKSJXAMHALD-UHFFFAOYSA-N
XLogP18.09
TPSA37.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500899.11
LogP ≤ 518.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-1-N-phenyl-5-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)-3-N-(4-phenylphenyl)-1-N-pyridin-4-ylbenzene-1,3-diamine with MolForge

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Related Compounds

4-phenyl-N-[4-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 135225140
N,N-diphenyl-4-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)aniline
CID 134275427
3-N-(4-naphthalen-1-ylphenyl)-1-N,1-N,3-N-triphenyl-5-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)benzene-1,3-diamine
CID 134275326
N-[4-(2-carbazol-9-yldibenzofuran-4-yl)phenyl]-3-cyclohexa-1,5-dien-1-yl-N-(3-phenylphenyl)aniline
CID 156558918
N,4-diphenyl-N-[4-[4-(5-phenyl-[1]benzofuro[3,2-c]carbazol-6-yl)phenyl]phenyl]aniline
CID 134252450
3-N-phenanthren-1-yl-1-N,1-N,3-N-triphenyl-5-(12-phenyl-[1]benzofuro[3,2-a]carbazol-6-yl)benzene-1,3-diamine
CID 162465032
12-phenyl-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole
CID 134530273
3-N-(9,9-dimethylfluoren-4-yl)-1-N,1-N-diphenyl-5-(12-phenyl-[1]benzofuro[3,2-a]carbazol-6-yl)-3-N-(4-phenylphenyl)benzene-1,3-diamine
CID 134275240
6-(4-dibenzofuran-4-ylphenyl)-12-(4-phenylphenyl)-[1]benzofuro[2,3-a]carbazole
CID 146368988
N-[3-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaen-11-yl)phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine
CID 163655388
3-N-dibenzofuran-1-yl-3-N-phenyl-5-(12-phenyl-[1]benzothiolo[3,2-a]carbazol-6-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 162465014
5-[9,9-dimethyl-7-(12-phenyl-[1]benzofuro[3,2-a]carbazol-6-yl)fluoren-3-yl]-1-N,3-N-diphenyl-3-N-(3-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 162465047

Frequently Asked Questions

What is the IUPAC name of 3-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-1-N-phenyl-5-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)-3-N-(4-phenylphenyl)-1-N-pyridin-4-ylbenzene-1,3-diamine?
The IUPAC name of 3-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-1-N-phenyl-5-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)-3-N-(4-phenylphenyl)-1-N-pyridin-4-ylbenzene-1,3-diamine (CID 134275324) is 3-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-1-N-phenyl-5-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)-3-N-(4-phenylphenyl)-1-N-pyridin-4-ylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-1-N-phenyl-5-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)-3-N-(4-phenylphenyl)-1-N-pyridin-4-ylbenzene-1,3-diamine?
The canonical SMILES for 3-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-1-N-phenyl-5-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)-3-N-(4-phenylphenyl)-1-N-pyridin-4-ylbenzene-1,3-diamine is C1=CC(c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4cc5c6ccccc6n(-c6ccccc6)c5c5oc6ccccc6c45)cc(N(c4ccccc4)c4ccncc4)c3)cc2)=CCC1.
What is the InChIKey of 3-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-1-N-phenyl-5-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)-3-N-(4-phenylphenyl)-1-N-pyridin-4-ylbenzene-1,3-diamine?
The InChIKey is DMRFKSJXAMHALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H46N4O/c1-5-17-45(18-6-1)47-29-33-52(34-30-47)68(53-35-31-48(32-36-53)46-19-7-2-8-20-46)56-42-49(41-55(43-56)67(50-21-9-3-10-22-50)54-37-39-66-40-38-54)59-44-60-57-25-13-15-27-61(57)69(51-23-11-4-12-24-51)64(60)65-63(59)58-26-14-16-28-62(58)70-65/h1,3-7,9-44H,2,8H2.
What are the key properties of 3-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-1-N-phenyl-5-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)-3-N-(4-phenylphenyl)-1-N-pyridin-4-ylbenzene-1,3-diamine?
3-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-1-N-phenyl-5-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)-3-N-(4-phenylphenyl)-1-N-pyridin-4-ylbenzene-1,3-diamine has a molecular weight of 899.11 g/mol, XLogP of 18.09, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-1-N-phenyl-5-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)-3-N-(4-phenylphenyl)-1-N-pyridin-4-ylbenzene-1,3-diamine is sourced from PubChem (CID 134275324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).