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

C62H46N2O — CID 144614567

IUPAC5-N-(6H-benzo[c]chromen-3-yl)-7,7-bis(3-methylphenyl)-5-N,9-N,9-N-triphenylbenzo[c]fluorene-5,9-diamine
SMILESCc1cccc(C2(c3cccc(C)c3)c3cc(N(c4ccccc4)c4ccccc4)ccc3-c3c2cc(N(c2ccccc2)c2ccc4c(c2)OCc2ccccc2-4)c2ccccc32)c1
InChIInChI=1S/C62H46N2O/c1-42-18-16-21-45(36-42)62(46-22-17-19-43(2)37-46)57-38-50(63(47-23-6-3-7-24-47)48-25-8-4-9-26-48)33-35-56(57)61-55-31-15-14-30-53(55)59(40-58(61)62)64(49-27-10-5-11-28-49)51-32-34-54-52-29-13-12-20-44(52)41-65-60(54)39-51/h3-40H,41H2,1-2H3
InChIKeyIDRXMYIIDGFDLP-UHFFFAOYSA-N
MW835.06 g/mol
LogP16.32
Rot. Bonds8

About 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

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 (PubChem CID 144614567) has the molecular formula C62H46N2O and a molecular weight of 835.06 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-N-(6H-benzo[c]chromen-3-yl)-7,7-bis(3-methylphenyl)-5-N,9-N,9-N-triphenylbenzo[c]fluorene-5,9-diamine
PubChem CID144614567
Molecular FormulaC62H46N2O
Molecular Weight835.06 g/mol
Exact Mass834.36
IUPAC Name5-N-(6H-benzo[c]chromen-3-yl)-7,7-bis(3-methylphenyl)-5-N,9-N,9-N-triphenylbenzo[c]fluorene-5,9-diamine
SMILESCc1cccc(C2(c3cccc(C)c3)c3cc(N(c4ccccc4)c4ccccc4)ccc3-c3c2cc(N(c2ccccc2)c2ccc4c(c2)OCc2ccccc2-4)c2ccccc32)c1
InChIInChI=1S/C62H46N2O/c1-42-18-16-21-45(36-42)62(46-22-17-19-43(2)37-46)57-38-50(63(47-23-6-3-7-24-47)48-25-8-4-9-26-48)33-35-56(57)61-55-31-15-14-30-53(55)59(40-58(61)62)64(49-27-10-5-11-28-49)51-32-34-54-52-29-13-12-20-44(52)41-65-60(54)39-51/h3-40H,41H2,1-2H3
InChIKeyIDRXMYIIDGFDLP-UHFFFAOYSA-N
XLogP16.32
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500835.06
LogP ≤ 516.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-N,5-N,9-N,9-N-tetraphenylspiro[benzo[c]fluorene-7,9'-fluorene]-5,9-diamine
CID 59755274
5-N,9-N-bis(3-methylphenyl)-5-N,9-N-diphenyl-7,7-bis(trimethylsilyl)benzo[c]fluorene-5,9-diamine
CID 140738274
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
N-(3-dimethylphosphanylphenyl)-9-methyl-N-(4-methylphenyl)-7,7-diphenylbenzo[c]fluoren-5-amine
CID 144614658
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'-(9,9-dimethylfluoren-2-yl)-2-N',5-N,5-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-2',5-diamine
CID 168775359
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
2-methyl-N-[9-(3-methylphenyl)-9-phenylfluoren-2-yl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
CID 177067341
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
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
5-N-dibenzofuran-1-yl-7,7-dimethyl-9-N-(3-methylphenyl)-5-N,9-N-diphenylbenzo[c]fluorene-5,9-diamine
CID 90128722

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cccc(C2(c3cccc(C)c3)c3cc(N(c4ccccc4)c4ccccc4)ccc3-c3c2cc(N(c2ccccc2)c2ccc4c(c2)OCc2ccccc2-4)c2ccccc32)c1.
What is the InChIKey of 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?
The InChIKey is IDRXMYIIDGFDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H46N2O/c1-42-18-16-21-45(36-42)62(46-22-17-19-43(2)37-46)57-38-50(63(47-23-6-3-7-24-47)48-25-8-4-9-26-48)33-35-56(57)61-55-31-15-14-30-53(55)59(40-58(61)62)64(49-27-10-5-11-28-49)51-32-34-54-52-29-13-12-20-44(52)41-65-60(54)39-51/h3-40H,41H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 835.06 g/mol, XLogP of 16.32, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 144614567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).