2-N,4-N-diphenyl-9-(9-phenylcarbazol-2-yl)-2-N,4-N-bis(4-phenylphenyl)dibenzofuran-2,4-diamine

C66H45N3O — CID 129178921

IUPAC2-N,4-N-diphenyl-9-(9-phenylcarbazol-2-yl)-2-N,4-N-bis(4-phenylphenyl)dibenzofuran-2,4-diamine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)c4oc5cccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)c5c4c3)cc2)cc1
InChIInChI=1S/C66H45N3O/c1-6-19-46(20-7-1)48-33-38-54(39-34-48)67(51-23-10-3-11-24-51)56-44-60-65-57(50-37-42-59-58-29-16-17-31-61(58)69(62(59)43-50)53-27-14-5-15-28-53)30-18-32-64(65)70-66(60)63(45-56)68(52-25-12-4-13-26-52)55-40-35-49(36-41-55)47-21-8-2-9-22-47/h1-45H
InChIKeyUKZLALMQWAYNQS-UHFFFAOYSA-N
MW896.11 g/mol
LogP18.62
Rot. Bonds10

About 2-N,4-N-diphenyl-9-(9-phenylcarbazol-2-yl)-2-N,4-N-bis(4-phenylphenyl)dibenzofuran-2,4-diamine

2-N,4-N-diphenyl-9-(9-phenylcarbazol-2-yl)-2-N,4-N-bis(4-phenylphenyl)dibenzofuran-2,4-diamine (PubChem CID 129178921) has the molecular formula C66H45N3O and a molecular weight of 896.11 g/mol. Its IUPAC name is 2-N,4-N-diphenyl-9-(9-phenylcarbazol-2-yl)-2-N,4-N-bis(4-phenylphenyl)dibenzofuran-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-diphenyl-9-(9-phenylcarbazol-2-yl)-2-N,4-N-bis(4-phenylphenyl)dibenzofuran-2,4-diamine
PubChem CID129178921
Molecular FormulaC66H45N3O
Molecular Weight896.11 g/mol
Exact Mass895.36
IUPAC Name2-N,4-N-diphenyl-9-(9-phenylcarbazol-2-yl)-2-N,4-N-bis(4-phenylphenyl)dibenzofuran-2,4-diamine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)c4oc5cccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)c5c4c3)cc2)cc1
InChIInChI=1S/C66H45N3O/c1-6-19-46(20-7-1)48-33-38-54(39-34-48)67(51-23-10-3-11-24-51)56-44-60-65-57(50-37-42-59-58-29-16-17-31-61(58)69(62(59)43-50)53-27-14-5-15-28-53)30-18-32-64(65)70-66(60)63(45-56)68(52-25-12-4-13-26-52)55-40-35-49(36-41-55)47-21-8-2-9-22-47/h1-45H
InChIKeyUKZLALMQWAYNQS-UHFFFAOYSA-N
XLogP18.62
TPSA24.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500896.11
LogP ≤ 518.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-phenyl-9-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 129178935
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline
CID 167330428
3-dibenzofuran-4-yl-N-phenyl-5-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline
CID 121443723
N-phenyl-5-(9-phenylcarbazol-2-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-11-amine
CID 176795871
N-[4-(4-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-[3-(6-phenyldibenzofuran-1-yl)phenyl]aniline
CID 155649265
N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-[4-[4-[2-[2-(N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-4-phenylanilino)phenyl]carbazol-9-yl]phenyl]phenyl]phenyl]-9-phenylcarbazol-3-amine
CID 166939041
N-(4-dibenzofuran-4-ylphenyl)-3-phenyl-5-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline
CID 118640922
N-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-1-yl-N-phenylaniline
CID 155398130
4-phenyl-N-[4-[4-(9-phenylcarbazol-2-yl)dibenzofuran-2-yl]phenyl]-N-(4-phenylphenyl)aniline;4-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]phenyl]-N-(4-phenylphenyl)aniline
CID 161031822
4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-N-phenyldibenzofuran-2-amine
CID 176609649
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 166939040
8-naphtho[1,2-b][1]benzothiol-7-yl-2-N,4-N-diphenyl-2-N,4-N-bis(9-phenylcarbazol-2-yl)dibenzofuran-2,4-diamine
CID 153097006

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-diphenyl-9-(9-phenylcarbazol-2-yl)-2-N,4-N-bis(4-phenylphenyl)dibenzofuran-2,4-diamine?
The IUPAC name of 2-N,4-N-diphenyl-9-(9-phenylcarbazol-2-yl)-2-N,4-N-bis(4-phenylphenyl)dibenzofuran-2,4-diamine (CID 129178921) is 2-N,4-N-diphenyl-9-(9-phenylcarbazol-2-yl)-2-N,4-N-bis(4-phenylphenyl)dibenzofuran-2,4-diamine.
What is the SMILES notation for 2-N,4-N-diphenyl-9-(9-phenylcarbazol-2-yl)-2-N,4-N-bis(4-phenylphenyl)dibenzofuran-2,4-diamine?
The canonical SMILES for 2-N,4-N-diphenyl-9-(9-phenylcarbazol-2-yl)-2-N,4-N-bis(4-phenylphenyl)dibenzofuran-2,4-diamine is c1ccc(-c2ccc(N(c3ccccc3)c3cc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)c4oc5cccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)c5c4c3)cc2)cc1.
What is the InChIKey of 2-N,4-N-diphenyl-9-(9-phenylcarbazol-2-yl)-2-N,4-N-bis(4-phenylphenyl)dibenzofuran-2,4-diamine?
The InChIKey is UKZLALMQWAYNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H45N3O/c1-6-19-46(20-7-1)48-33-38-54(39-34-48)67(51-23-10-3-11-24-51)56-44-60-65-57(50-37-42-59-58-29-16-17-31-61(58)69(62(59)43-50)53-27-14-5-15-28-53)30-18-32-64(65)70-66(60)63(45-56)68(52-25-12-4-13-26-52)55-40-35-49(36-41-55)47-21-8-2-9-22-47/h1-45H.
What are the key properties of 2-N,4-N-diphenyl-9-(9-phenylcarbazol-2-yl)-2-N,4-N-bis(4-phenylphenyl)dibenzofuran-2,4-diamine?
2-N,4-N-diphenyl-9-(9-phenylcarbazol-2-yl)-2-N,4-N-bis(4-phenylphenyl)dibenzofuran-2,4-diamine has a molecular weight of 896.11 g/mol, XLogP of 18.62, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-diphenyl-9-(9-phenylcarbazol-2-yl)-2-N,4-N-bis(4-phenylphenyl)dibenzofuran-2,4-diamine is sourced from PubChem (CID 129178921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).