N-(4-dibenzofuran-2-ylphenyl)-11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-3-amine

C57H39NO — CID 164774715

IUPACN-(4-dibenzofuran-2-ylphenyl)-11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-3-amine
SMILESCC1(C)c2ccc(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3ccc4ccccc4c3-c3ccc4ccccc4c3)cc2-c2cc3ccccc3cc21
InChIInChI=1S/C57H39NO/c1-57(2)51-28-27-45(35-49(51)48-32-40-14-5-6-15-41(40)34-52(48)57)58(44-25-21-37(22-26-44)42-24-30-55-50(33-42)47-17-9-10-18-54(47)59-55)53-29-23-38-12-7-8-16-46(38)56(53)43-20-19-36-11-3-4-13-39(36)31-43/h3-35H,1-2H3
InChIKeyGHDQDASLQVBCAM-UHFFFAOYSA-N
MW753.95 g/mol
LogP16.16
Rot. Bonds5

About N-(4-dibenzofuran-2-ylphenyl)-11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-3-amine

N-(4-dibenzofuran-2-ylphenyl)-11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-3-amine (PubChem CID 164774715) has the molecular formula C57H39NO and a molecular weight of 753.95 g/mol. Its IUPAC name is N-(4-dibenzofuran-2-ylphenyl)-11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-3-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-2-ylphenyl)-11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-3-amine
PubChem CID164774715
Molecular FormulaC57H39NO
Molecular Weight753.95 g/mol
Exact Mass753.30
IUPAC NameN-(4-dibenzofuran-2-ylphenyl)-11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-3-amine
SMILESCC1(C)c2ccc(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3ccc4ccccc4c3-c3ccc4ccccc4c3)cc2-c2cc3ccccc3cc21
InChIInChI=1S/C57H39NO/c1-57(2)51-28-27-45(35-49(51)48-32-40-14-5-6-15-41(40)34-52(48)57)58(44-25-21-37(22-26-44)42-24-30-55-50(33-42)47-17-9-10-18-54(47)59-55)53-29-23-38-12-7-8-16-46(38)56(53)43-20-19-36-11-3-4-13-39(36)31-43/h3-35H,1-2H3
InChIKeyGHDQDASLQVBCAM-UHFFFAOYSA-N
XLogP16.16
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.95
LogP ≤ 516.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N-(1-dibenzofuran-2-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine
CID 168802375
11,11-dimethyl-N-naphthalen-1-yl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-3-amine
CID 164774904
N-(4-methylphenyl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran-2-amine
CID 164774292
8-N,22-N-di(dibenzofuran-2-yl)-15,15-dimethyl-8-N,22-N-bis(4-naphthalen-2-ylphenyl)-5,25-dioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine
CID 163982454
N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-3-amine;N-(4-dibenzothiophen-3-ylphenyl)-9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-3-amine;N-(9,9-dimethylfluoren-3-yl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzothiophen-3-amine;N-(9,9-dimethylfluoren-3-yl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)phenanthren-9-amine
CID 165077471
9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)fluoren-3-amine
CID 170035951
N-(4-dibenzofuran-2-ylphenyl)-4-(9,9-dimethylfluoren-3-yl)-N-phenylaniline;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]naphthalen-1-amine;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]naphthalen-2-amine
CID 161220626
N-(2-dibenzofuran-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-1-naphthalen-2-yldibenzofuran-2-amine
CID 177281538
N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-naphthalen-2-ylfluoren-2-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine;N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-amine
CID 157215739
N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 67964223
N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine;N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-7-phenylfluoren-2-amine
CID 158112378
N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-7-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine;N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-7-naphthalen-2-yl-N-(4-phenylphenyl)fluoren-2-amine
CID 160649120

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-3-amine?
The IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-3-amine (CID 164774715) is N-(4-dibenzofuran-2-ylphenyl)-11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-3-amine.
What is the SMILES notation for N-(4-dibenzofuran-2-ylphenyl)-11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-3-amine?
The canonical SMILES for N-(4-dibenzofuran-2-ylphenyl)-11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-3-amine is CC1(C)c2ccc(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3ccc4ccccc4c3-c3ccc4ccccc4c3)cc2-c2cc3ccccc3cc21.
What is the InChIKey of N-(4-dibenzofuran-2-ylphenyl)-11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-3-amine?
The InChIKey is GHDQDASLQVBCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H39NO/c1-57(2)51-28-27-45(35-49(51)48-32-40-14-5-6-15-41(40)34-52(48)57)58(44-25-21-37(22-26-44)42-24-30-55-50(33-42)47-17-9-10-18-54(47)59-55)53-29-23-38-12-7-8-16-46(38)56(53)43-20-19-36-11-3-4-13-39(36)31-43/h3-35H,1-2H3.
What are the key properties of N-(4-dibenzofuran-2-ylphenyl)-11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-3-amine?
N-(4-dibenzofuran-2-ylphenyl)-11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-3-amine has a molecular weight of 753.95 g/mol, XLogP of 16.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-2-ylphenyl)-11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-3-amine is sourced from PubChem (CID 164774715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).