7,7-dimethyl-5-N,5-N,9-N,9-N-tetrakis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine

C67H50N2 — CID 162712053

IUPAC7,7-dimethyl-5-N,5-N,9-N,9-N-tetrakis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine
SMILESCC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)ccc2-c2c1cc(N(c1ccc(-c3ccccc3)cc1)c1ccc(-c3ccccc3)cc1)c1ccccc21
InChIInChI=1S/C67H50N2/c1-67(2)63-45-59(68(55-35-27-51(28-36-55)47-17-7-3-8-18-47)56-37-29-52(30-38-56)48-19-9-4-10-20-48)43-44-62(63)66-61-26-16-15-25-60(61)65(46-64(66)67)69(57-39-31-53(32-40-57)49-21-11-5-12-22-49)58-41-33-54(34-42-58)50-23-13-6-14-24-50/h3-46H,1-2H3
InChIKeyZKSPEZCMTJSKCX-UHFFFAOYSA-N
MW883.15 g/mol
LogP18.75
Rot. Bonds10

About 7,7-dimethyl-5-N,5-N,9-N,9-N-tetrakis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine

7,7-dimethyl-5-N,5-N,9-N,9-N-tetrakis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine (PubChem CID 162712053) has the molecular formula C67H50N2 and a molecular weight of 883.15 g/mol. Its IUPAC name is 7,7-dimethyl-5-N,5-N,9-N,9-N-tetrakis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine.

Molecular Properties

Compound Name7,7-dimethyl-5-N,5-N,9-N,9-N-tetrakis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine
PubChem CID162712053
Molecular FormulaC67H50N2
Molecular Weight883.15 g/mol
Exact Mass882.40
IUPAC Name7,7-dimethyl-5-N,5-N,9-N,9-N-tetrakis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine
SMILESCC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)ccc2-c2c1cc(N(c1ccc(-c3ccccc3)cc1)c1ccc(-c3ccccc3)cc1)c1ccccc21
InChIInChI=1S/C67H50N2/c1-67(2)63-45-59(68(55-35-27-51(28-36-55)47-17-7-3-8-18-47)56-37-29-52(30-38-56)48-19-9-4-10-20-48)43-44-62(63)66-61-26-16-15-25-60(61)65(46-64(66)67)69(57-39-31-53(32-40-57)49-21-11-5-12-22-49)58-41-33-54(34-42-58)50-23-13-6-14-24-50/h3-46H,1-2H3
InChIKeyZKSPEZCMTJSKCX-UHFFFAOYSA-N
XLogP18.75
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500883.15
LogP ≤ 518.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7,7-dimethyl-5-N,5-N,9-N,9-N-tetrakis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine with MolForge

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Related Compounds

7,7-dimethyl-5-N,9-N-bis(6-methyl-3-pyridinyl)-5-N,9-N-bis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine
CID 139397270
7,7-dimethyl-N-(2-phenylphenyl)-N,5-bis(4-phenylphenyl)benzo[g]fluoren-9-amine
CID 121321506
9-N,9-N,19-N,19-N-tetrakis[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-12,12,22,22-tetramethylhexacyclo[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-undecaene-9,19-diamine
CID 155323973
5-N,9-N-bis[3-(3,6-diphenylcarbazol-9-yl)phenyl]-7,7-dimethyl-5-N,9-N-bis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine
CID 118038912
12,12-dimethyl-N,N,15-tris(4-phenylphenyl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine
CID 118428464
3,3,24,24-tetramethyl-6-N,21-N-diphenyl-6-N,21-N-bis(4-phenylphenyl)hexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene-6,21-diamine
CID 59182237
7,7-dimethyl-5-N,9-N-diphenyl-5-N,9-N-bis(3-thiophen-2-ylphenyl)benzo[c]fluorene-5,9-diamine
CID 118049243
N-[4-[4-(N-(7,7-dimethylbenzo[c]fluoren-5-yl)-4-methylanilino)phenyl]phenyl]-7,7-dimethyl-N-(4-methylphenyl)benzo[c]fluoren-5-amine;N-[4-[4-(N-(7,7-dimethylbenzo[c]fluoren-5-yl)-3-phenylanilino)phenyl]phenyl]-7,7-dimethyl-N-(3-phenylphenyl)benzo[c]fluoren-5-amine
CID 159608670
2-N',5-N,5-N-triphenyl-2-N'-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-2',5-diamine
CID 168775192
N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-methylphenyl)phenyl]spiro[benzo[c]fluorene-7,9'-fluorene]-5-amine
CID 145144997
2-N'-(9,9-dimethylfluoren-2-yl)-2-N',5-N,5-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-2',5-diamine
CID 168775359
1-N,4-N-bis(4-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;1-N,4-N-bis(4-methylphenyl)-1-N,4-N-diphenylnaphthalene-1,4-diamine;9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)-2-N,7-N-diphenylfluorene-2,7-diamine;ethane;4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;4-methyl-N-(4-methylphenyl)-N-phenylaniline
CID 160684370

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-5-N,5-N,9-N,9-N-tetrakis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine?
The IUPAC name of 7,7-dimethyl-5-N,5-N,9-N,9-N-tetrakis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine (CID 162712053) is 7,7-dimethyl-5-N,5-N,9-N,9-N-tetrakis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine.
What is the SMILES notation for 7,7-dimethyl-5-N,5-N,9-N,9-N-tetrakis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine?
The canonical SMILES for 7,7-dimethyl-5-N,5-N,9-N,9-N-tetrakis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine is CC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)ccc2-c2c1cc(N(c1ccc(-c3ccccc3)cc1)c1ccc(-c3ccccc3)cc1)c1ccccc21.
What is the InChIKey of 7,7-dimethyl-5-N,5-N,9-N,9-N-tetrakis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine?
The InChIKey is ZKSPEZCMTJSKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H50N2/c1-67(2)63-45-59(68(55-35-27-51(28-36-55)47-17-7-3-8-18-47)56-37-29-52(30-38-56)48-19-9-4-10-20-48)43-44-62(63)66-61-26-16-15-25-60(61)65(46-64(66)67)69(57-39-31-53(32-40-57)49-21-11-5-12-22-49)58-41-33-54(34-42-58)50-23-13-6-14-24-50/h3-46H,1-2H3.
What are the key properties of 7,7-dimethyl-5-N,5-N,9-N,9-N-tetrakis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine?
7,7-dimethyl-5-N,5-N,9-N,9-N-tetrakis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine has a molecular weight of 883.15 g/mol, XLogP of 18.75, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-5-N,5-N,9-N,9-N-tetrakis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine is sourced from PubChem (CID 162712053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).