9-N-cyclohexa-1,3-dien-1-yl-7,7-dimethyl-5-N,5-N,9-N-triphenylbenzo[c]fluorene-5,9-diamine

C43H36N2 — CID 131994114

IUPAC9-N-cyclohexa-1,3-dien-1-yl-7,7-dimethyl-5-N,5-N,9-N-triphenylbenzo[c]fluorene-5,9-diamine
SMILESCC1(C)c2cc(N(C3=CC=CCC3)c3ccccc3)ccc2-c2c1cc(N(c1ccccc1)c1ccccc1)c1ccccc21
InChIInChI=1S/C43H36N2/c1-43(2)39-29-35(44(31-17-7-3-8-18-31)32-19-9-4-10-20-32)27-28-38(39)42-37-26-16-15-25-36(37)41(30-40(42)43)45(33-21-11-5-12-22-33)34-23-13-6-14-24-34/h3-9,11-19,21-30H,10,20H2,1-2H3
InChIKeySGUGSIMUBGGDHO-UHFFFAOYSA-N
MW580.78 g/mol
LogP11.99
Rot. Bonds6

About 9-N-cyclohexa-1,3-dien-1-yl-7,7-dimethyl-5-N,5-N,9-N-triphenylbenzo[c]fluorene-5,9-diamine

9-N-cyclohexa-1,3-dien-1-yl-7,7-dimethyl-5-N,5-N,9-N-triphenylbenzo[c]fluorene-5,9-diamine (PubChem CID 131994114) has the molecular formula C43H36N2 and a molecular weight of 580.78 g/mol. Its IUPAC name is 9-N-cyclohexa-1,3-dien-1-yl-7,7-dimethyl-5-N,5-N,9-N-triphenylbenzo[c]fluorene-5,9-diamine.

Molecular Properties

Compound Name9-N-cyclohexa-1,3-dien-1-yl-7,7-dimethyl-5-N,5-N,9-N-triphenylbenzo[c]fluorene-5,9-diamine
PubChem CID131994114
Molecular FormulaC43H36N2
Molecular Weight580.78 g/mol
Exact Mass580.29
IUPAC Name9-N-cyclohexa-1,3-dien-1-yl-7,7-dimethyl-5-N,5-N,9-N-triphenylbenzo[c]fluorene-5,9-diamine
SMILESCC1(C)c2cc(N(C3=CC=CCC3)c3ccccc3)ccc2-c2c1cc(N(c1ccccc1)c1ccccc1)c1ccccc21
InChIInChI=1S/C43H36N2/c1-43(2)39-29-35(44(31-17-7-3-8-18-31)32-19-9-4-10-20-32)27-28-38(39)42-37-26-16-15-25-36(37)41(30-40(42)43)45(33-21-11-5-12-22-33)34-23-13-6-14-24-34/h3-9,11-19,21-30H,10,20H2,1-2H3
InChIKeySGUGSIMUBGGDHO-UHFFFAOYSA-N
XLogP11.99
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.78
LogP ≤ 511.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-N-cyclohexa-1,3-dien-1-yl-9,9-dimethyl-2-N,2-N,7-N-triphenylfluorene-2,7-diamine
CID 143993809
7-N-cyclohexa-1,3-dien-1-yl-9,9-dimethyl-2-N,2-N,7-N-triphenylfluorene-2,7-diamine;ethane
CID 143993808
N-[4-[4-(N-cyclohexa-1,3-dien-1-ylanilino)phenyl]naphthalen-1-yl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine
CID 118503357
5-N-cyclohepta-1,3,6-trien-1-yl-7,7-dimethyl-5-N,9-N,9-N-triphenylbenzo[c]fluorene-5,9-diamine
CID 166865681
N-cyclohexa-1,3-dien-1-yl-7-[(E)-2-[4-[(E)-2-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 89049784
7,7-dimethyl-5-N,5-N,9-N,9-N-tetrakis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine
CID 162712053
2-N-cyclohexa-1,3-dien-1-yl-2-N,5-N,5-N,9,9-pentakis-phenylfluorene-2,5-diamine
CID 142424805
6-N-cyclohexa-1,3-dien-1-yl-6-N,21-N-bis(9,9-dimethylfluoren-2-yl)-3,24-dimethyl-21-N-phenyl-3,24-diazahexacyclo[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 89104265
7,7-dimethyl-N,N-diphenylbenzo[c]fluoren-5-amine
CID 162712377
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
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
N-cyclohexa-1,3-dien-1-yl-N-phenyl-4-(10-phenylanthracen-9-yl)aniline
CID 143438550

Frequently Asked Questions

What is the IUPAC name of 9-N-cyclohexa-1,3-dien-1-yl-7,7-dimethyl-5-N,5-N,9-N-triphenylbenzo[c]fluorene-5,9-diamine?
The IUPAC name of 9-N-cyclohexa-1,3-dien-1-yl-7,7-dimethyl-5-N,5-N,9-N-triphenylbenzo[c]fluorene-5,9-diamine (CID 131994114) is 9-N-cyclohexa-1,3-dien-1-yl-7,7-dimethyl-5-N,5-N,9-N-triphenylbenzo[c]fluorene-5,9-diamine.
What is the SMILES notation for 9-N-cyclohexa-1,3-dien-1-yl-7,7-dimethyl-5-N,5-N,9-N-triphenylbenzo[c]fluorene-5,9-diamine?
The canonical SMILES for 9-N-cyclohexa-1,3-dien-1-yl-7,7-dimethyl-5-N,5-N,9-N-triphenylbenzo[c]fluorene-5,9-diamine is CC1(C)c2cc(N(C3=CC=CCC3)c3ccccc3)ccc2-c2c1cc(N(c1ccccc1)c1ccccc1)c1ccccc21.
What is the InChIKey of 9-N-cyclohexa-1,3-dien-1-yl-7,7-dimethyl-5-N,5-N,9-N-triphenylbenzo[c]fluorene-5,9-diamine?
The InChIKey is SGUGSIMUBGGDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H36N2/c1-43(2)39-29-35(44(31-17-7-3-8-18-31)32-19-9-4-10-20-32)27-28-38(39)42-37-26-16-15-25-36(37)41(30-40(42)43)45(33-21-11-5-12-22-33)34-23-13-6-14-24-34/h3-9,11-19,21-30H,10,20H2,1-2H3.
What are the key properties of 9-N-cyclohexa-1,3-dien-1-yl-7,7-dimethyl-5-N,5-N,9-N-triphenylbenzo[c]fluorene-5,9-diamine?
9-N-cyclohexa-1,3-dien-1-yl-7,7-dimethyl-5-N,5-N,9-N-triphenylbenzo[c]fluorene-5,9-diamine has a molecular weight of 580.78 g/mol, XLogP of 11.99, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-N-cyclohexa-1,3-dien-1-yl-7,7-dimethyl-5-N,5-N,9-N-triphenylbenzo[c]fluorene-5,9-diamine is sourced from PubChem (CID 131994114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).