6-carbazol-9-yl-N-(9,9-dimethylfluoren-3-yl)-N-(2-phenylphenyl)dibenzofuran-4-amine

C51H36N2O — CID 90125929

IUPAC6-carbazol-9-yl-N-(9,9-dimethylfluoren-3-yl)-N-(2-phenylphenyl)dibenzofuran-4-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccccc3-c3ccccc3)c3cccc4c3oc3c(-n5c6ccccc6c6ccccc65)cccc34)ccc21
InChIInChI=1S/C51H36N2O/c1-51(2)42-24-10-6-19-36(42)41-32-34(30-31-43(41)51)52(44-25-11-7-18-35(44)33-16-4-3-5-17-33)47-28-14-22-39-40-23-15-29-48(50(40)54-49(39)47)53-45-26-12-8-20-37(45)38-21-9-13-27-46(38)53/h3-32H,1-2H3
InChIKeyWKAWHHIFKZXOMF-UHFFFAOYSA-N
MW692.86 g/mol
LogP14.13
Rot. Bonds5

About 6-carbazol-9-yl-N-(9,9-dimethylfluoren-3-yl)-N-(2-phenylphenyl)dibenzofuran-4-amine

6-carbazol-9-yl-N-(9,9-dimethylfluoren-3-yl)-N-(2-phenylphenyl)dibenzofuran-4-amine (PubChem CID 90125929) has the molecular formula C51H36N2O and a molecular weight of 692.86 g/mol. Its IUPAC name is 6-carbazol-9-yl-N-(9,9-dimethylfluoren-3-yl)-N-(2-phenylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound Name6-carbazol-9-yl-N-(9,9-dimethylfluoren-3-yl)-N-(2-phenylphenyl)dibenzofuran-4-amine
PubChem CID90125929
Molecular FormulaC51H36N2O
Molecular Weight692.86 g/mol
Exact Mass692.28
IUPAC Name6-carbazol-9-yl-N-(9,9-dimethylfluoren-3-yl)-N-(2-phenylphenyl)dibenzofuran-4-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccccc3-c3ccccc3)c3cccc4c3oc3c(-n5c6ccccc6c6ccccc65)cccc34)ccc21
InChIInChI=1S/C51H36N2O/c1-51(2)42-24-10-6-19-36(42)41-32-34(30-31-43(41)51)52(44-25-11-7-18-35(44)33-16-4-3-5-17-33)47-28-14-22-39-40-23-15-29-48(50(40)54-49(39)47)53-45-26-12-8-20-37(45)38-21-9-13-27-46(38)53/h3-32H,1-2H3
InChIKeyWKAWHHIFKZXOMF-UHFFFAOYSA-N
XLogP14.13
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.86
LogP ≤ 514.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-carbazol-9-ylnaphthalen-2-yl)phenyl]-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-3-amine
CID 139568211
N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-1-amine
CID 170119634
N-[2-(9,9-dimethylfluoren-3-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine
CID 168790539
N-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-[2-(9-phenylcarbazol-3-yl)phenyl]fluoren-3-amine
CID 139567817
13,13-dimethyl-N,N-bis(2-phenylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine
CID 70892943
N-[4-(9-dibenzofuran-4-ylcarbazol-3-yl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 90207151
[6-[(9,9-dimethylfluoren-3-yl)-(5-phenylnaphthalen-1-yl)amino]dibenzofuran-1-yl]boronic acid
CID 140857089
N-[4-[4-(N-(9,9-dimethylfluoren-3-yl)-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 71126808
9-[9-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
CID 165076311
N-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 166028594
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[3-(6-phenyldibenzofuran-4-yl)phenyl]fluoren-3-amine
CID 139568121
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167403199

Frequently Asked Questions

What is the IUPAC name of 6-carbazol-9-yl-N-(9,9-dimethylfluoren-3-yl)-N-(2-phenylphenyl)dibenzofuran-4-amine?
The IUPAC name of 6-carbazol-9-yl-N-(9,9-dimethylfluoren-3-yl)-N-(2-phenylphenyl)dibenzofuran-4-amine (CID 90125929) is 6-carbazol-9-yl-N-(9,9-dimethylfluoren-3-yl)-N-(2-phenylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for 6-carbazol-9-yl-N-(9,9-dimethylfluoren-3-yl)-N-(2-phenylphenyl)dibenzofuran-4-amine?
The canonical SMILES for 6-carbazol-9-yl-N-(9,9-dimethylfluoren-3-yl)-N-(2-phenylphenyl)dibenzofuran-4-amine is CC1(C)c2ccccc2-c2cc(N(c3ccccc3-c3ccccc3)c3cccc4c3oc3c(-n5c6ccccc6c6ccccc65)cccc34)ccc21.
What is the InChIKey of 6-carbazol-9-yl-N-(9,9-dimethylfluoren-3-yl)-N-(2-phenylphenyl)dibenzofuran-4-amine?
The InChIKey is WKAWHHIFKZXOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H36N2O/c1-51(2)42-24-10-6-19-36(42)41-32-34(30-31-43(41)51)52(44-25-11-7-18-35(44)33-16-4-3-5-17-33)47-28-14-22-39-40-23-15-29-48(50(40)54-49(39)47)53-45-26-12-8-20-37(45)38-21-9-13-27-46(38)53/h3-32H,1-2H3.
What are the key properties of 6-carbazol-9-yl-N-(9,9-dimethylfluoren-3-yl)-N-(2-phenylphenyl)dibenzofuran-4-amine?
6-carbazol-9-yl-N-(9,9-dimethylfluoren-3-yl)-N-(2-phenylphenyl)dibenzofuran-4-amine has a molecular weight of 692.86 g/mol, XLogP of 14.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-carbazol-9-yl-N-(9,9-dimethylfluoren-3-yl)-N-(2-phenylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 90125929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).