N-(3,4-dimethylphenyl)-N-(9-methyl-7,7-diphenylbenzo[c]fluoren-5-yl)dibenzofuran-4-amine

C50H37NO — CID 144614268

IUPACN-(3,4-dimethylphenyl)-N-(9-methyl-7,7-diphenylbenzo[c]fluoren-5-yl)dibenzofuran-4-amine
SMILESCc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(N(c3ccc(C)c(C)c3)c3cccc4c3oc3ccccc34)c3ccccc3c1-2
InChIInChI=1S/C50H37NO/c1-32-25-28-42-43(29-32)50(35-15-6-4-7-16-35,36-17-8-5-9-18-36)44-31-46(38-19-10-11-21-40(38)48(42)44)51(37-27-26-33(2)34(3)30-37)45-23-14-22-41-39-20-12-13-24-47(39)52-49(41)45/h4-31H,1-3H3
InChIKeyWSGKRTSBDYGUGL-UHFFFAOYSA-N
MW667.85 g/mol
LogP13.50
Rot. Bonds5

About N-(3,4-dimethylphenyl)-N-(9-methyl-7,7-diphenylbenzo[c]fluoren-5-yl)dibenzofuran-4-amine

N-(3,4-dimethylphenyl)-N-(9-methyl-7,7-diphenylbenzo[c]fluoren-5-yl)dibenzofuran-4-amine (PubChem CID 144614268) has the molecular formula C50H37NO and a molecular weight of 667.85 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-N-(9-methyl-7,7-diphenylbenzo[c]fluoren-5-yl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-N-(9-methyl-7,7-diphenylbenzo[c]fluoren-5-yl)dibenzofuran-4-amine
PubChem CID144614268
Molecular FormulaC50H37NO
Molecular Weight667.85 g/mol
Exact Mass667.29
IUPAC NameN-(3,4-dimethylphenyl)-N-(9-methyl-7,7-diphenylbenzo[c]fluoren-5-yl)dibenzofuran-4-amine
SMILESCc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(N(c3ccc(C)c(C)c3)c3cccc4c3oc3ccccc34)c3ccccc3c1-2
InChIInChI=1S/C50H37NO/c1-32-25-28-42-43(29-32)50(35-15-6-4-7-16-35,36-17-8-5-9-18-36)44-31-46(38-19-10-11-21-40(38)48(42)44)51(37-27-26-33(2)34(3)30-37)45-23-14-22-41-39-20-12-13-24-47(39)52-49(41)45/h4-31H,1-3H3
InChIKeyWSGKRTSBDYGUGL-UHFFFAOYSA-N
XLogP13.50
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.85
LogP ≤ 513.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-N,15-N-di(dibenzofuran-4-yl)-12,12-diphenyl-9-N,15-N-bis(3,4,5-trimethylphenyl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 90140037
5-N,9-N-bis(3-methylphenyl)-5-N,9-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-7,7-diphenylbenzo[c]fluorene-5,9-diamine
CID 126550480
N-[4-[4-[bis(7-methyl-9,9-diphenylfluoren-2-yl)amino]-2-methylphenyl]phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-4-amine
CID 177287603
5-N,9-N-di(dibenzofuran-4-yl)-5-N,9-N-bis(2-fluoro-4,6-diphenylphenyl)-7,7-diphenylbenzo[c]fluorene-5,9-diamine
CID 90139883
9-N',15-N'-di(dibenzofuran-4-yl)-9-N',15-N'-bis(3-methylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine
CID 137493854
N-(2-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-4-amine
CID 122675382
7,7-diphenyl-5-N,9-N-bis(6-phenyldibenzofuran-4-yl)-5-N,9-N-bis(2-phenylphenyl)benzo[c]fluorene-5,9-diamine
CID 90139897
9-N,15-N-bis(2,5-dimethylphenyl)-9-N,15-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]-12,12-diphenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 90140097
9-N,10-N-bis(4-methylphenyl)-9-N,10-N-diphenyl-2,6-di(propan-2-yl)anthracene-9,10-diamine;6-N,12-N-di(dibenzofuran-4-yl)-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine;7,7-dimethyl-5-N,5-N,9-N,9-N-tetraphenylbenzo[c]fluorene-5,9-diamine;9,10-dinaphthalen-2-yl-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine;9-N,9-N,10-N,10-N-tetrakis(3,4-dimethylphenyl)anthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis(3-methylphenyl)anthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetraphenylanthracene-9,10-diamine;5-N,5-N,9-N-tris(4-methylphenyl)-7,7-diphenyl-9-N-(4-trimethylsilylphenyl)benzo[c]fluorene-5,9-diamine
CID 161316729
5-N,9-N-bis(4-tert-butylphenyl)-7,7-diphenyl-5-N,9-N-bis(6-phenyldibenzofuran-4-yl)benzo[c]fluorene-5,9-diamine
CID 90139898
9-methyl-N-(9-methyl-7,7-diphenylbenzo[c]fluoren-5-yl)-N-phenylcarbazol-4-amine;toluene;1,2-xylene
CID 144614546
N-[7-[5-[dibenzofuran-4-yl(naphthalen-2-yl)amino]-7-phenylbenzo[c]fluoren-7-yl]-7-phenylbenzo[c]fluoren-5-yl]-N-naphthalen-2-yldibenzofuran-4-amine
CID 140862681

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-N-(9-methyl-7,7-diphenylbenzo[c]fluoren-5-yl)dibenzofuran-4-amine?
The IUPAC name of N-(3,4-dimethylphenyl)-N-(9-methyl-7,7-diphenylbenzo[c]fluoren-5-yl)dibenzofuran-4-amine (CID 144614268) is N-(3,4-dimethylphenyl)-N-(9-methyl-7,7-diphenylbenzo[c]fluoren-5-yl)dibenzofuran-4-amine.
What is the SMILES notation for N-(3,4-dimethylphenyl)-N-(9-methyl-7,7-diphenylbenzo[c]fluoren-5-yl)dibenzofuran-4-amine?
The canonical SMILES for N-(3,4-dimethylphenyl)-N-(9-methyl-7,7-diphenylbenzo[c]fluoren-5-yl)dibenzofuran-4-amine is Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(N(c3ccc(C)c(C)c3)c3cccc4c3oc3ccccc34)c3ccccc3c1-2.
What is the InChIKey of N-(3,4-dimethylphenyl)-N-(9-methyl-7,7-diphenylbenzo[c]fluoren-5-yl)dibenzofuran-4-amine?
The InChIKey is WSGKRTSBDYGUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H37NO/c1-32-25-28-42-43(29-32)50(35-15-6-4-7-16-35,36-17-8-5-9-18-36)44-31-46(38-19-10-11-21-40(38)48(42)44)51(37-27-26-33(2)34(3)30-37)45-23-14-22-41-39-20-12-13-24-47(39)52-49(41)45/h4-31H,1-3H3.
What are the key properties of N-(3,4-dimethylphenyl)-N-(9-methyl-7,7-diphenylbenzo[c]fluoren-5-yl)dibenzofuran-4-amine?
N-(3,4-dimethylphenyl)-N-(9-methyl-7,7-diphenylbenzo[c]fluoren-5-yl)dibenzofuran-4-amine has a molecular weight of 667.85 g/mol, XLogP of 13.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-N-(9-methyl-7,7-diphenylbenzo[c]fluoren-5-yl)dibenzofuran-4-amine is sourced from PubChem (CID 144614268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).