7,7-dimethyl-5-N,9-N-diphenyl-5-N,9-N-bis(3-thiophen-2-ylphenyl)benzo[c]fluorene-5,9-diamine

C51H38N2S2 — CID 118049243

IUPAC7,7-dimethyl-5-N,9-N-diphenyl-5-N,9-N-bis(3-thiophen-2-ylphenyl)benzo[c]fluorene-5,9-diamine
SMILESCC1(C)c2cc(N(c3ccccc3)c3cccc(-c4cccs4)c3)ccc2-c2c1cc(N(c1ccccc1)c1cccc(-c3cccs3)c1)c1ccccc21
InChIInChI=1S/C51H38N2S2/c1-51(2)45-33-41(52(37-17-5-3-6-18-37)39-21-11-15-35(31-39)48-25-13-29-54-48)27-28-44(45)50-43-24-10-9-23-42(43)47(34-46(50)51)53(38-19-7-4-8-20-38)40-22-12-16-36(32-40)49-26-14-30-55-49/h3-34H,1-2H3
InChIKeyYARPMZYHQNVBBB-UHFFFAOYSA-N
MW743.01 g/mol
LogP15.54
Rot. Bonds8

About 7,7-dimethyl-5-N,9-N-diphenyl-5-N,9-N-bis(3-thiophen-2-ylphenyl)benzo[c]fluorene-5,9-diamine

7,7-dimethyl-5-N,9-N-diphenyl-5-N,9-N-bis(3-thiophen-2-ylphenyl)benzo[c]fluorene-5,9-diamine (PubChem CID 118049243) has the molecular formula C51H38N2S2 and a molecular weight of 743.01 g/mol. Its IUPAC name is 7,7-dimethyl-5-N,9-N-diphenyl-5-N,9-N-bis(3-thiophen-2-ylphenyl)benzo[c]fluorene-5,9-diamine.

Molecular Properties

Compound Name7,7-dimethyl-5-N,9-N-diphenyl-5-N,9-N-bis(3-thiophen-2-ylphenyl)benzo[c]fluorene-5,9-diamine
PubChem CID118049243
Molecular FormulaC51H38N2S2
Molecular Weight743.01 g/mol
Exact Mass742.25
IUPAC Name7,7-dimethyl-5-N,9-N-diphenyl-5-N,9-N-bis(3-thiophen-2-ylphenyl)benzo[c]fluorene-5,9-diamine
SMILESCC1(C)c2cc(N(c3ccccc3)c3cccc(-c4cccs4)c3)ccc2-c2c1cc(N(c1ccccc1)c1cccc(-c3cccs3)c1)c1ccccc21
InChIInChI=1S/C51H38N2S2/c1-51(2)45-33-41(52(37-17-5-3-6-18-37)39-21-11-15-35(31-39)48-25-13-29-54-48)27-28-44(45)50-43-24-10-9-23-42(43)47(34-46(50)51)53(38-19-7-4-8-20-38)40-22-12-16-36(32-40)49-26-14-30-55-49/h3-34H,1-2H3
InChIKeyYARPMZYHQNVBBB-UHFFFAOYSA-N
XLogP15.54
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.01
LogP ≤ 515.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7,7-dimethyl-5-N,5-N,9-N,9-N-tetrakis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine
CID 162712053
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
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
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
5-N,9-N-bis[4-(1,3-benzothiazol-2-yl)phenyl]-7,7-dimethyl-5-N,9-N-diphenylbenzo[c]fluorene-5,9-diamine
CID 155473570
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
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-N,N-diphenylbenzo[c]fluoren-5-amine
CID 162712377
22-ethyl-12,12,22-trimethyl-9-N,9-N,19-N,19-N-tetraphenylhexacyclo[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 123586227
5-[(E)-2-[7,7-dimethyl-9-(N-phenylanilino)benzo[c]fluoren-5-yl]ethenyl]-7,7-dimethyl-N,N-diphenylbenzo[g]fluoren-9-amine
CID 59412990
5-N,9-N-bis[3-(3,6-ditert-butylcarbazol-9-yl)phenyl]-7,7-dimethyl-5-N,9-N-diphenylbenzo[c]fluorene-5,9-diamine
CID 126498124
7-phenyl-4-(10-phenylanthracen-9-yl)benzo[a]anthracene;12,12,22,22-tetramethyl-9-N,9-N,19-N,19-N-tetraphenylhexacyclo[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 162053768

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-5-N,9-N-diphenyl-5-N,9-N-bis(3-thiophen-2-ylphenyl)benzo[c]fluorene-5,9-diamine?
The IUPAC name of 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) is 7,7-dimethyl-5-N,9-N-diphenyl-5-N,9-N-bis(3-thiophen-2-ylphenyl)benzo[c]fluorene-5,9-diamine.
What is the SMILES notation for 7,7-dimethyl-5-N,9-N-diphenyl-5-N,9-N-bis(3-thiophen-2-ylphenyl)benzo[c]fluorene-5,9-diamine?
The canonical SMILES for 7,7-dimethyl-5-N,9-N-diphenyl-5-N,9-N-bis(3-thiophen-2-ylphenyl)benzo[c]fluorene-5,9-diamine is CC1(C)c2cc(N(c3ccccc3)c3cccc(-c4cccs4)c3)ccc2-c2c1cc(N(c1ccccc1)c1cccc(-c3cccs3)c1)c1ccccc21.
What is the InChIKey of 7,7-dimethyl-5-N,9-N-diphenyl-5-N,9-N-bis(3-thiophen-2-ylphenyl)benzo[c]fluorene-5,9-diamine?
The InChIKey is YARPMZYHQNVBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H38N2S2/c1-51(2)45-33-41(52(37-17-5-3-6-18-37)39-21-11-15-35(31-39)48-25-13-29-54-48)27-28-44(45)50-43-24-10-9-23-42(43)47(34-46(50)51)53(38-19-7-4-8-20-38)40-22-12-16-36(32-40)49-26-14-30-55-49/h3-34H,1-2H3.
What are the key properties of 7,7-dimethyl-5-N,9-N-diphenyl-5-N,9-N-bis(3-thiophen-2-ylphenyl)benzo[c]fluorene-5,9-diamine?
7,7-dimethyl-5-N,9-N-diphenyl-5-N,9-N-bis(3-thiophen-2-ylphenyl)benzo[c]fluorene-5,9-diamine has a molecular weight of 743.01 g/mol, XLogP of 15.54, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-5-N,9-N-diphenyl-5-N,9-N-bis(3-thiophen-2-ylphenyl)benzo[c]fluorene-5,9-diamine is sourced from PubChem (CID 118049243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).