9-N-[4-(ethylamino)phenyl]-5-N,9-N-bis(4-methylphenyl)-7,7-diphenyl-5-N-[4-(trimethyl-λ4-sulfanyl)phenyl]benzo[c]fluorene-5,9-diamine

C60H55N3S — CID 170242982

IUPAC9-N-[4-(ethylamino)phenyl]-5-N,9-N-bis(4-methylphenyl)-7,7-diphenyl-5-N-[4-(trimethyl-λ4-sulfanyl)phenyl]benzo[c]fluorene-5,9-diamine
SMILESCCNc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(N(c4ccc(C)cc4)c4ccc(S(C)(C)C)cc4)c4ccccc4c2-3)cc1
InChIInChI=1S/C60H55N3S/c1-7-61-46-26-32-48(33-27-46)62(47-28-22-42(2)23-29-47)51-36-39-55-56(40-51)60(44-16-10-8-11-17-44,45-18-12-9-13-19-45)57-41-58(53-20-14-15-21-54(53)59(55)57)63(49-30-24-43(3)25-31-49)50-34-37-52(38-35-50)64(4,5)6/h8-41,61H,7H2,1-6H3
InChIKeyNJAAVHSVHWCRMM-UHFFFAOYSA-N
MW850.19 g/mol
LogP16.24
Rot. Bonds11

About 9-N-[4-(ethylamino)phenyl]-5-N,9-N-bis(4-methylphenyl)-7,7-diphenyl-5-N-[4-(trimethyl-λ4-sulfanyl)phenyl]benzo[c]fluorene-5,9-diamine

9-N-[4-(ethylamino)phenyl]-5-N,9-N-bis(4-methylphenyl)-7,7-diphenyl-5-N-[4-(trimethyl-λ4-sulfanyl)phenyl]benzo[c]fluorene-5,9-diamine (PubChem CID 170242982) has the molecular formula C60H55N3S and a molecular weight of 850.19 g/mol. Its IUPAC name is 9-N-[4-(ethylamino)phenyl]-5-N,9-N-bis(4-methylphenyl)-7,7-diphenyl-5-N-[4-(trimethyl-λ4-sulfanyl)phenyl]benzo[c]fluorene-5,9-diamine.

Molecular Properties

Compound Name9-N-[4-(ethylamino)phenyl]-5-N,9-N-bis(4-methylphenyl)-7,7-diphenyl-5-N-[4-(trimethyl-λ4-sulfanyl)phenyl]benzo[c]fluorene-5,9-diamine
PubChem CID170242982
Molecular FormulaC60H55N3S
Molecular Weight850.19 g/mol
Exact Mass849.41
IUPAC Name9-N-[4-(ethylamino)phenyl]-5-N,9-N-bis(4-methylphenyl)-7,7-diphenyl-5-N-[4-(trimethyl-λ4-sulfanyl)phenyl]benzo[c]fluorene-5,9-diamine
SMILESCCNc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(N(c4ccc(C)cc4)c4ccc(S(C)(C)C)cc4)c4ccccc4c2-3)cc1
InChIInChI=1S/C60H55N3S/c1-7-61-46-26-32-48(33-27-46)62(47-28-22-42(2)23-29-47)51-36-39-55-56(40-51)60(44-16-10-8-11-17-44,45-18-12-9-13-19-45)57-41-58(53-20-14-15-21-54(53)59(55)57)63(49-30-24-43(3)25-31-49)50-34-37-52(38-35-50)64(4,5)6/h8-41,61H,7H2,1-6H3
InChIKeyNJAAVHSVHWCRMM-UHFFFAOYSA-N
XLogP16.24
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500850.19
LogP ≤ 516.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 9-N-[4-(ethylamino)phenyl]-5-N,9-N-bis(4-methylphenyl)-7,7-diphenyl-5-N-[4-(trimethyl-λ4-sulfanyl)phenyl]benzo[c]fluorene-5,9-diamine with MolForge

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Related Compounds

N-(3-dimethylphosphanylphenyl)-9-methyl-N-(4-methylphenyl)-7,7-diphenylbenzo[c]fluoren-5-amine
CID 144614658
7,7-diphenyl-5-N,9-N-bis(4-propan-2-ylphenyl)-5-N,9-N-bis(4-trimethylsilylphenyl)benzo[c]fluorene-5,9-diamine
CID 140717796
5-N,5-N,9-N,9-N-tetraphenylspiro[benzo[c]fluorene-7,9'-fluorene]-5,9-diamine
CID 59755274
5-N,18-N-bis(4-methylphenyl)-5-N,18-N,21,21-tetraphenylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine
CID 88594459
5-N-(6H-benzo[c]chromen-3-yl)-7,7-bis(3-methylphenyl)-5-N,9-N,9-N-triphenylbenzo[c]fluorene-5,9-diamine
CID 144614567
9-methyl-N-(9-methyl-7,7-diphenylbenzo[c]fluoren-5-yl)-N-phenylcarbazol-4-amine;toluene;1,2-xylene
CID 144614546
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
2-N',5-N,5-N-triphenyl-2-N'-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-2',5-diamine
CID 168775192
3,10-bis(2,4-dimethylphenyl)-N,N,24,24-tetraphenylheptacyclo[14.10.1.02,11.04,9.012,27.017,25.018,23]heptacosa-1(26),2,4,6,8,10,12,14,16(27),17(25),18(23),19,21-tridecaen-21-amine
CID 154939134
5-N,9-N-bis(4-tert-butylphenyl)-5-N,9-N-bis(3-methylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-5,9-diamine
CID 167178435
5-N',9-N'-bis(4-tert-butylphenyl)-9-N'-(4-methylphenyl)-5-N'-[4-(trimethyl-λ4-sulfanyl)phenyl]spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzothiole]-5',9'-diamine
CID 145003671
N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-methylphenyl)phenyl]spiro[benzo[c]fluorene-7,9'-fluorene]-5-amine
CID 145144997

Frequently Asked Questions

What is the IUPAC name of 9-N-[4-(ethylamino)phenyl]-5-N,9-N-bis(4-methylphenyl)-7,7-diphenyl-5-N-[4-(trimethyl-λ4-sulfanyl)phenyl]benzo[c]fluorene-5,9-diamine?
The IUPAC name of 9-N-[4-(ethylamino)phenyl]-5-N,9-N-bis(4-methylphenyl)-7,7-diphenyl-5-N-[4-(trimethyl-λ4-sulfanyl)phenyl]benzo[c]fluorene-5,9-diamine (CID 170242982) is 9-N-[4-(ethylamino)phenyl]-5-N,9-N-bis(4-methylphenyl)-7,7-diphenyl-5-N-[4-(trimethyl-λ4-sulfanyl)phenyl]benzo[c]fluorene-5,9-diamine.
What is the SMILES notation for 9-N-[4-(ethylamino)phenyl]-5-N,9-N-bis(4-methylphenyl)-7,7-diphenyl-5-N-[4-(trimethyl-λ4-sulfanyl)phenyl]benzo[c]fluorene-5,9-diamine?
The canonical SMILES for 9-N-[4-(ethylamino)phenyl]-5-N,9-N-bis(4-methylphenyl)-7,7-diphenyl-5-N-[4-(trimethyl-λ4-sulfanyl)phenyl]benzo[c]fluorene-5,9-diamine is CCNc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(N(c4ccc(C)cc4)c4ccc(S(C)(C)C)cc4)c4ccccc4c2-3)cc1.
What is the InChIKey of 9-N-[4-(ethylamino)phenyl]-5-N,9-N-bis(4-methylphenyl)-7,7-diphenyl-5-N-[4-(trimethyl-λ4-sulfanyl)phenyl]benzo[c]fluorene-5,9-diamine?
The InChIKey is NJAAVHSVHWCRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H55N3S/c1-7-61-46-26-32-48(33-27-46)62(47-28-22-42(2)23-29-47)51-36-39-55-56(40-51)60(44-16-10-8-11-17-44,45-18-12-9-13-19-45)57-41-58(53-20-14-15-21-54(53)59(55)57)63(49-30-24-43(3)25-31-49)50-34-37-52(38-35-50)64(4,5)6/h8-41,61H,7H2,1-6H3.
What are the key properties of 9-N-[4-(ethylamino)phenyl]-5-N,9-N-bis(4-methylphenyl)-7,7-diphenyl-5-N-[4-(trimethyl-λ4-sulfanyl)phenyl]benzo[c]fluorene-5,9-diamine?
9-N-[4-(ethylamino)phenyl]-5-N,9-N-bis(4-methylphenyl)-7,7-diphenyl-5-N-[4-(trimethyl-λ4-sulfanyl)phenyl]benzo[c]fluorene-5,9-diamine has a molecular weight of 850.19 g/mol, XLogP of 16.24, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-N-[4-(ethylamino)phenyl]-5-N,9-N-bis(4-methylphenyl)-7,7-diphenyl-5-N-[4-(trimethyl-λ4-sulfanyl)phenyl]benzo[c]fluorene-5,9-diamine is sourced from PubChem (CID 170242982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).