3-[4-[(9,9-dimethylfluoren-2-yl)-methylamino]phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine

C52H40N2O — CID 167255473

IUPAC3-[4-[(9,9-dimethylfluoren-2-yl)-methylamino]phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
SMILESCN(c1ccc(-c2ccc3c(oc4ccccc43)c2N(c2ccccc2)c2ccc(-c3ccccc3)cc2)cc1)c1ccc2c(c1)C(C)(C)c1ccccc1-2
InChIInChI=1S/C52H40N2O/c1-52(2)47-20-12-10-18-43(47)44-31-30-41(34-48(44)52)53(3)38-26-24-37(25-27-38)42-32-33-46-45-19-11-13-21-49(45)55-51(46)50(42)54(39-16-8-5-9-17-39)40-28-22-36(23-29-40)35-14-6-4-7-15-35/h4-34H,1-3H3
InChIKeyWXCIDRWBUXEGCH-UHFFFAOYSA-N
MW708.91 g/mol
LogP14.46
Rot. Bonds7

About 3-[4-[(9,9-dimethylfluoren-2-yl)-methylamino]phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine

3-[4-[(9,9-dimethylfluoren-2-yl)-methylamino]phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine (PubChem CID 167255473) has the molecular formula C52H40N2O and a molecular weight of 708.91 g/mol. Its IUPAC name is 3-[4-[(9,9-dimethylfluoren-2-yl)-methylamino]phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound Name3-[4-[(9,9-dimethylfluoren-2-yl)-methylamino]phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
PubChem CID167255473
Molecular FormulaC52H40N2O
Molecular Weight708.91 g/mol
Exact Mass708.31
IUPAC Name3-[4-[(9,9-dimethylfluoren-2-yl)-methylamino]phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
SMILESCN(c1ccc(-c2ccc3c(oc4ccccc43)c2N(c2ccccc2)c2ccc(-c3ccccc3)cc2)cc1)c1ccc2c(c1)C(C)(C)c1ccccc1-2
InChIInChI=1S/C52H40N2O/c1-52(2)47-20-12-10-18-43(47)44-31-30-41(34-48(44)52)53(3)38-26-24-37(25-27-38)42-32-33-46-45-19-11-13-21-49(45)55-51(46)50(42)54(39-16-8-5-9-17-39)40-28-22-36(23-29-40)35-14-6-4-7-15-35/h4-34H,1-3H3
InChIKeyWXCIDRWBUXEGCH-UHFFFAOYSA-N
XLogP14.46
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.91
LogP ≤ 514.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-bis(9,9-dimethylfluoren-2-yl)-3,7-diphenyldibenzofuran-4-amine
CID 174261155
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine
CID 67964252
N-(9,9-dimethylfluoren-2-yl)-N,17-bis(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-16-amine
CID 171433310
6-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-amine
CID 170535825
4-[4-(4-dibenzofuran-3-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]-N,N-diphenylaniline;N-[4-[4-(4-dibenzofuran-3-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;2-N-(4-dibenzofuran-3-ylphenyl)-2-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-N,7-N-diphenylfluorene-2,7-diamine;4-N-(4-dibenzofuran-3-ylphenyl)-4-N-(4-dibenzofuran-4-ylphenyl)-1-N,1-N-diphenylbenzene-1,4-diamine
CID 157103465
N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 67964212
N-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 167144127
N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 67964106
4-[2-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]-N,N-diphenylaniline;N-[4-[2-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]-N,4-diphenylaniline;N-[4-[2-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 162204343
8-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-6,6,12,12-tetramethyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine
CID 88534252
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-17-phenyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-11-amine
CID 176598464
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)triphenylen-2-amine
CID 118214526

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(9,9-dimethylfluoren-2-yl)-methylamino]phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine?
The IUPAC name of 3-[4-[(9,9-dimethylfluoren-2-yl)-methylamino]phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine (CID 167255473) is 3-[4-[(9,9-dimethylfluoren-2-yl)-methylamino]phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for 3-[4-[(9,9-dimethylfluoren-2-yl)-methylamino]phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine?
The canonical SMILES for 3-[4-[(9,9-dimethylfluoren-2-yl)-methylamino]phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine is CN(c1ccc(-c2ccc3c(oc4ccccc43)c2N(c2ccccc2)c2ccc(-c3ccccc3)cc2)cc1)c1ccc2c(c1)C(C)(C)c1ccccc1-2.
What is the InChIKey of 3-[4-[(9,9-dimethylfluoren-2-yl)-methylamino]phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine?
The InChIKey is WXCIDRWBUXEGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H40N2O/c1-52(2)47-20-12-10-18-43(47)44-31-30-41(34-48(44)52)53(3)38-26-24-37(25-27-38)42-32-33-46-45-19-11-13-21-49(45)55-51(46)50(42)54(39-16-8-5-9-17-39)40-28-22-36(23-29-40)35-14-6-4-7-15-35/h4-34H,1-3H3.
What are the key properties of 3-[4-[(9,9-dimethylfluoren-2-yl)-methylamino]phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine?
3-[4-[(9,9-dimethylfluoren-2-yl)-methylamino]phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine has a molecular weight of 708.91 g/mol, XLogP of 14.46, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(9,9-dimethylfluoren-2-yl)-methylamino]phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 167255473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).