7,7-dimethyl-N-[4-(1-methyl-2,4,5-triphenylpyrrol-3-yl)phenyl]-N-(4-phenylphenyl)benzo[g]fluoren-9-amine

C60H46N2 — CID 121450573

IUPAC7,7-dimethyl-N-[4-(1-methyl-2,4,5-triphenylpyrrol-3-yl)phenyl]-N-(4-phenylphenyl)benzo[g]fluoren-9-amine
SMILESCn1c(-c2ccccc2)c(-c2ccccc2)c(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)c3ccc5ccccc5c3-4)cc2)c1-c1ccccc1
InChIInChI=1S/C60H46N2/c1-60(2)53-39-32-43-20-16-17-27-51(43)57(53)52-38-37-50(40-54(52)60)62(48-33-28-42(29-34-48)41-18-8-4-9-19-41)49-35-30-45(31-36-49)56-55(44-21-10-5-11-22-44)58(46-23-12-6-13-24-46)61(3)59(56)47-25-14-7-15-26-47/h4-40H,1-3H3
InChIKeyDFKUKLGDDFAHPI-UHFFFAOYSA-N
MW795.04 g/mol
LogP16.29
Rot. Bonds8

About 7,7-dimethyl-N-[4-(1-methyl-2,4,5-triphenylpyrrol-3-yl)phenyl]-N-(4-phenylphenyl)benzo[g]fluoren-9-amine

7,7-dimethyl-N-[4-(1-methyl-2,4,5-triphenylpyrrol-3-yl)phenyl]-N-(4-phenylphenyl)benzo[g]fluoren-9-amine (PubChem CID 121450573) has the molecular formula C60H46N2 and a molecular weight of 795.04 g/mol. Its IUPAC name is 7,7-dimethyl-N-[4-(1-methyl-2,4,5-triphenylpyrrol-3-yl)phenyl]-N-(4-phenylphenyl)benzo[g]fluoren-9-amine.

Molecular Properties

Compound Name7,7-dimethyl-N-[4-(1-methyl-2,4,5-triphenylpyrrol-3-yl)phenyl]-N-(4-phenylphenyl)benzo[g]fluoren-9-amine
PubChem CID121450573
Molecular FormulaC60H46N2
Molecular Weight795.04 g/mol
Exact Mass794.37
IUPAC Name7,7-dimethyl-N-[4-(1-methyl-2,4,5-triphenylpyrrol-3-yl)phenyl]-N-(4-phenylphenyl)benzo[g]fluoren-9-amine
SMILESCn1c(-c2ccccc2)c(-c2ccccc2)c(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)c3ccc5ccccc5c3-4)cc2)c1-c1ccccc1
InChIInChI=1S/C60H46N2/c1-60(2)53-39-32-43-20-16-17-27-51(43)57(53)52-38-37-50(40-54(52)60)62(48-33-28-42(29-34-48)41-18-8-4-9-19-41)49-35-30-45(31-36-49)56-55(44-21-10-5-11-22-44)58(46-23-12-6-13-24-46)61(3)59(56)47-25-14-7-15-26-47/h4-40H,1-3H3
InChIKeyDFKUKLGDDFAHPI-UHFFFAOYSA-N
XLogP16.29
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.04
LogP ≤ 516.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7,7-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-phenylbenzo[g]fluoren-9-amine
CID 143561123
N-[4-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 130250677
9,9-dimethyl-N-[4-(1-methyl-2,4,5-triphenylpyrrol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 121450570
N,N-bis(7,7-dimethylbenzo[g]fluoren-9-yl)-7,7-dimethylbenzo[g]fluoren-9-amine
CID 90272762
12,12,22,22-tetramethyl-N-phenanthren-3-yl-N-(4-phenylphenyl)hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaen-19-amine
CID 118122815
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-methylphenyl)benzo[g]fluoren-9-amine
CID 164794440
9,9-dimethyl-N-naphthalen-2-yl-5-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine
CID 170417688
N-(7,7-dimethylbenzo[g]fluoren-9-yl)-12,12-dimethyl-N-(3-phenylphenyl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine
CID 130290737
9,9-dimethyl-N-(1-phenylnaphthalen-2-yl)-N,5-bis(4-phenylphenyl)fluoren-2-amine
CID 170417648
1-N-(9,9-dimethylfluoren-2-yl)-4-N-phenyl-4-N-(1-phenylnaphthalen-2-yl)-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 176611732
5,9,9-trimethyl-N-(1-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)fluoren-2-amine
CID 171740895
9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[benzo[c]fluorene-7,9'-fluorene]-1'-ylphenyl)fluoren-2-amine
CID 130380017

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-N-[4-(1-methyl-2,4,5-triphenylpyrrol-3-yl)phenyl]-N-(4-phenylphenyl)benzo[g]fluoren-9-amine?
The IUPAC name of 7,7-dimethyl-N-[4-(1-methyl-2,4,5-triphenylpyrrol-3-yl)phenyl]-N-(4-phenylphenyl)benzo[g]fluoren-9-amine (CID 121450573) is 7,7-dimethyl-N-[4-(1-methyl-2,4,5-triphenylpyrrol-3-yl)phenyl]-N-(4-phenylphenyl)benzo[g]fluoren-9-amine.
What is the SMILES notation for 7,7-dimethyl-N-[4-(1-methyl-2,4,5-triphenylpyrrol-3-yl)phenyl]-N-(4-phenylphenyl)benzo[g]fluoren-9-amine?
The canonical SMILES for 7,7-dimethyl-N-[4-(1-methyl-2,4,5-triphenylpyrrol-3-yl)phenyl]-N-(4-phenylphenyl)benzo[g]fluoren-9-amine is Cn1c(-c2ccccc2)c(-c2ccccc2)c(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)c3ccc5ccccc5c3-4)cc2)c1-c1ccccc1.
What is the InChIKey of 7,7-dimethyl-N-[4-(1-methyl-2,4,5-triphenylpyrrol-3-yl)phenyl]-N-(4-phenylphenyl)benzo[g]fluoren-9-amine?
The InChIKey is DFKUKLGDDFAHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H46N2/c1-60(2)53-39-32-43-20-16-17-27-51(43)57(53)52-38-37-50(40-54(52)60)62(48-33-28-42(29-34-48)41-18-8-4-9-19-41)49-35-30-45(31-36-49)56-55(44-21-10-5-11-22-44)58(46-23-12-6-13-24-46)61(3)59(56)47-25-14-7-15-26-47/h4-40H,1-3H3.
What are the key properties of 7,7-dimethyl-N-[4-(1-methyl-2,4,5-triphenylpyrrol-3-yl)phenyl]-N-(4-phenylphenyl)benzo[g]fluoren-9-amine?
7,7-dimethyl-N-[4-(1-methyl-2,4,5-triphenylpyrrol-3-yl)phenyl]-N-(4-phenylphenyl)benzo[g]fluoren-9-amine has a molecular weight of 795.04 g/mol, XLogP of 16.29, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-N-[4-(1-methyl-2,4,5-triphenylpyrrol-3-yl)phenyl]-N-(4-phenylphenyl)benzo[g]fluoren-9-amine is sourced from PubChem (CID 121450573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).