N-[4-(8,9-dihydrodibenzofuran-2-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3-phenylaniline

C51H39NO — CID 156826935

IUPACN-[4-(8,9-dihydrodibenzofuran-2-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3-phenylaniline
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc(N(c4ccc(-c5ccc6oc7c(c6c5)CCC=C7)cc4)c4cccc(-c5ccccc5)c4)cc3)ccc21
InChIInChI=1S/C51H39NO/c1-51(2)47-17-8-6-15-43(47)45-32-38(23-29-48(45)51)35-19-25-40(26-20-35)52(42-14-10-13-37(31-42)34-11-4-3-5-12-34)41-27-21-36(22-28-41)39-24-30-50-46(33-39)44-16-7-9-18-49(44)53-50/h3-6,8-15,17-33H,7,16H2,1-2H3
InChIKeySRBMDHNDDGSADV-UHFFFAOYSA-N
MW681.88 g/mol
LogP14.17
Rot. Bonds6

About N-[4-(8,9-dihydrodibenzofuran-2-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3-phenylaniline

N-[4-(8,9-dihydrodibenzofuran-2-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3-phenylaniline (PubChem CID 156826935) has the molecular formula C51H39NO and a molecular weight of 681.88 g/mol. Its IUPAC name is N-[4-(8,9-dihydrodibenzofuran-2-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3-phenylaniline.

Molecular Properties

Compound NameN-[4-(8,9-dihydrodibenzofuran-2-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3-phenylaniline
PubChem CID156826935
Molecular FormulaC51H39NO
Molecular Weight681.88 g/mol
Exact Mass681.30
IUPAC NameN-[4-(8,9-dihydrodibenzofuran-2-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3-phenylaniline
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc(N(c4ccc(-c5ccc6oc7c(c6c5)CCC=C7)cc4)c4cccc(-c5ccccc5)c4)cc3)ccc21
InChIInChI=1S/C51H39NO/c1-51(2)47-17-8-6-15-43(47)45-32-38(23-29-48(45)51)35-19-25-40(26-20-35)52(42-14-10-13-37(31-42)34-11-4-3-5-12-34)41-27-21-36(22-28-41)39-24-30-50-46(33-39)44-16-7-9-18-49(44)53-50/h3-6,8-15,17-33H,7,16H2,1-2H3
InChIKeySRBMDHNDDGSADV-UHFFFAOYSA-N
XLogP14.17
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500681.88
LogP ≤ 514.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(6,7-dihydrodibenzofuran-3-yl)phenyl]-3-(9,9-dimethylfluoren-3-yl)-N-phenylaniline
CID 156827193
N-(4-dibenzofuran-1-ylphenyl)-3-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)aniline
CID 168840183
N-(3-dibenzofuran-1-ylphenyl)-N-[4-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-3-phenylaniline
CID 168840030
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenylaniline
CID 129085281
N-(4-dibenzofuran-3-ylphenyl)-3-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 168839418
N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 67964223
N-(9,9-dimethylfluoren-3-yl)-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]-8,9-dihydrodibenzofuran-3-amine
CID 167214760
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5-(4-phenylphenyl)-3,4-dihydronaphtho[1,2-b][1]benzofuran-8-amine
CID 167144302
3-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]aniline
CID 168839786
N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 138498501
8-[2-[3-[3-(N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]phenyl]phenyl]-N,N-bis(9,9-dimethylfluoren-3-yl)dibenzofuran-1-amine
CID 164934333
N-(3-dibenzofuran-2-ylphenyl)-N-(5,6-dihydronaphthalen-2-yl)-9,9-dimethylfluoren-2-amine
CID 118487128

Frequently Asked Questions

What is the IUPAC name of N-[4-(8,9-dihydrodibenzofuran-2-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3-phenylaniline?
The IUPAC name of N-[4-(8,9-dihydrodibenzofuran-2-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3-phenylaniline (CID 156826935) is N-[4-(8,9-dihydrodibenzofuran-2-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3-phenylaniline.
What is the SMILES notation for N-[4-(8,9-dihydrodibenzofuran-2-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3-phenylaniline?
The canonical SMILES for N-[4-(8,9-dihydrodibenzofuran-2-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3-phenylaniline is CC1(C)c2ccccc2-c2cc(-c3ccc(N(c4ccc(-c5ccc6oc7c(c6c5)CCC=C7)cc4)c4cccc(-c5ccccc5)c4)cc3)ccc21.
What is the InChIKey of N-[4-(8,9-dihydrodibenzofuran-2-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3-phenylaniline?
The InChIKey is SRBMDHNDDGSADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H39NO/c1-51(2)47-17-8-6-15-43(47)45-32-38(23-29-48(45)51)35-19-25-40(26-20-35)52(42-14-10-13-37(31-42)34-11-4-3-5-12-34)41-27-21-36(22-28-41)39-24-30-50-46(33-39)44-16-7-9-18-49(44)53-50/h3-6,8-15,17-33H,7,16H2,1-2H3.
What are the key properties of N-[4-(8,9-dihydrodibenzofuran-2-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3-phenylaniline?
N-[4-(8,9-dihydrodibenzofuran-2-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3-phenylaniline has a molecular weight of 681.88 g/mol, XLogP of 14.17, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(8,9-dihydrodibenzofuran-2-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3-phenylaniline is sourced from PubChem (CID 156826935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).