ethane;9-[4-methyl-5-(2-methylphenyl)cyclohexa-1,5-dien-1-yl]-N-[3-methyl-2-(2-methylphenyl)phenyl]-N-spiro[5,6-dihydrofluorene-9,9'-fluorene]-4-ylcarbazol-2-amine;toluene

C74H66N2 — CID 145345856

IUPACethane;9-[4-methyl-5-(2-methylphenyl)cyclohexa-1,5-dien-1-yl]-N-[3-methyl-2-(2-methylphenyl)phenyl]-N-spiro[5,6-dihydrofluorene-9,9'-fluorene]-4-ylcarbazol-2-amine;toluene
SMILESCC.Cc1ccccc1.Cc1ccccc1C1=CC(n2c3ccccc3c3ccc(N(c4cccc5c4C4=C(C=CCC4)C54c5ccccc5-c5ccccc54)c4cccc(C)c4-c4ccccc4C)cc32)=CCC1C
InChIInChI=1S/C65H52N2.C7H8.C2H6/c1-41-19-5-7-22-47(41)54-39-45(36-35-43(54)3)66-59-32-16-12-26-51(59)52-38-37-46(40-62(52)66)67(60-33-17-21-44(4)63(60)48-23-8-6-20-42(48)2)61-34-18-31-58-64(61)53-27-11-15-30-57(53)65(58)55-28-13-9-24-49(55)50-25-10-14-29-56(50)65;1-7-5-3-2-4-6-7;1-2/h5-10,12-26,28-34,36-40,43H,11,27,35H2,1-4H3;2-6H,1H3;1-2H3
InChIKeyWZSWDYKRYZSVIF-UHFFFAOYSA-N
MW983.36 g/mol
LogP20.27
Rot. Bonds6

About ethane;9-[4-methyl-5-(2-methylphenyl)cyclohexa-1,5-dien-1-yl]-N-[3-methyl-2-(2-methylphenyl)phenyl]-N-spiro[5,6-dihydrofluorene-9,9'-fluorene]-4-ylcarbazol-2-amine;toluene

ethane;9-[4-methyl-5-(2-methylphenyl)cyclohexa-1,5-dien-1-yl]-N-[3-methyl-2-(2-methylphenyl)phenyl]-N-spiro[5,6-dihydrofluorene-9,9'-fluorene]-4-ylcarbazol-2-amine;toluene (PubChem CID 145345856) has the molecular formula C74H66N2 and a molecular weight of 983.36 g/mol. Its IUPAC name is ethane;9-[4-methyl-5-(2-methylphenyl)cyclohexa-1,5-dien-1-yl]-N-[3-methyl-2-(2-methylphenyl)phenyl]-N-spiro[5,6-dihydrofluorene-9,9'-fluorene]-4-ylcarbazol-2-amine;toluene.

Molecular Properties

Compound Nameethane;9-[4-methyl-5-(2-methylphenyl)cyclohexa-1,5-dien-1-yl]-N-[3-methyl-2-(2-methylphenyl)phenyl]-N-spiro[5,6-dihydrofluorene-9,9'-fluorene]-4-ylcarbazol-2-amine;toluene
PubChem CID145345856
Molecular FormulaC74H66N2
Molecular Weight983.36 g/mol
Exact Mass982.52
IUPAC Nameethane;9-[4-methyl-5-(2-methylphenyl)cyclohexa-1,5-dien-1-yl]-N-[3-methyl-2-(2-methylphenyl)phenyl]-N-spiro[5,6-dihydrofluorene-9,9'-fluorene]-4-ylcarbazol-2-amine;toluene
SMILESCC.Cc1ccccc1.Cc1ccccc1C1=CC(n2c3ccccc3c3ccc(N(c4cccc5c4C4=C(C=CCC4)C54c5ccccc5-c5ccccc54)c4cccc(C)c4-c4ccccc4C)cc32)=CCC1C
InChIInChI=1S/C65H52N2.C7H8.C2H6/c1-41-19-5-7-22-47(41)54-39-45(36-35-43(54)3)66-59-32-16-12-26-51(59)52-38-37-46(40-62(52)66)67(60-33-17-21-44(4)63(60)48-23-8-6-20-42(48)2)61-34-18-31-58-64(61)53-27-11-15-30-57(53)65(58)55-28-13-9-24-49(55)50-25-10-14-29-56(50)65;1-7-5-3-2-4-6-7;1-2/h5-10,12-26,28-34,36-40,43H,11,27,35H2,1-4H3;2-6H,1H3;1-2H3
InChIKeyWZSWDYKRYZSVIF-UHFFFAOYSA-N
XLogP20.27
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500983.36
LogP ≤ 520.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;9-[4-methyl-5-(2-methylphenyl)cyclohexa-1,5-dien-1-yl]-N-[3-methyl-2-(2-methylphenyl)phenyl]-N-spiro[5,6-dihydrofluorene-9,9'-fluorene]-4-ylcarbazol-2-amine;toluene with MolForge

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Related Compounds

N,N-bis(9,9-dimethylfluoren-2-yl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-4'-amine
CID 162362975
N-naphthalen-2-yl-N-phenylspiro[3,4-dihydrofluorene-9,9'-fluorene]-4'-amine
CID 145291040
N-methyl-N-[2-(4-methylspiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl)phenyl]-9-phenylcarbazol-2-amine
CID 131969708
N-[(6S)-2-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)-6-methylcyclohexa-1,3-dien-1-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 145303098
4-N,4-N'-diphenyl-4-N-(9-phenylcarbazol-2-yl)-4-N'-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4,4'-diamine
CID 164838007
4-methyl-5'-phenyl-2'-(9-phenylcarbazol-2-yl)spiro[3,4-dihydrofluorene-9,7'-indeno[2,1-b]carbazole]
CID 144556721
3-N',4-N-diphenyl-3-N'-(9-phenylcarbazol-2-yl)-4-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3',4-diamine
CID 164838003
3-N',4-N-diphenyl-4-N-(9-phenylcarbazol-2-yl)-3-N'-(2-phenylphenyl)-9,9'-spirobi[fluorene]-3',4-diamine
CID 164838074
N-(2-methyl-9-triphenylen-2-yl-2,3-dihydrocarbazol-1-yl)-9-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)carbazol-3-amine
CID 145345810
4-N,4-N-diphenyl-4-N'-(9-phenylcarbazol-2-yl)-4-N'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4,4'-diamine
CID 164838090
N-[3-[3-[9-[4-(9,9-diphenylfluoren-4-yl)cyclohexa-1,5-dien-1-yl]carbazol-3-yl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-3-amine
CID 146569131
N-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
CID 167095079

Frequently Asked Questions

What is the IUPAC name of ethane;9-[4-methyl-5-(2-methylphenyl)cyclohexa-1,5-dien-1-yl]-N-[3-methyl-2-(2-methylphenyl)phenyl]-N-spiro[5,6-dihydrofluorene-9,9'-fluorene]-4-ylcarbazol-2-amine;toluene?
The IUPAC name of ethane;9-[4-methyl-5-(2-methylphenyl)cyclohexa-1,5-dien-1-yl]-N-[3-methyl-2-(2-methylphenyl)phenyl]-N-spiro[5,6-dihydrofluorene-9,9'-fluorene]-4-ylcarbazol-2-amine;toluene (CID 145345856) is ethane;9-[4-methyl-5-(2-methylphenyl)cyclohexa-1,5-dien-1-yl]-N-[3-methyl-2-(2-methylphenyl)phenyl]-N-spiro[5,6-dihydrofluorene-9,9'-fluorene]-4-ylcarbazol-2-amine;toluene.
What is the SMILES notation for ethane;9-[4-methyl-5-(2-methylphenyl)cyclohexa-1,5-dien-1-yl]-N-[3-methyl-2-(2-methylphenyl)phenyl]-N-spiro[5,6-dihydrofluorene-9,9'-fluorene]-4-ylcarbazol-2-amine;toluene?
The canonical SMILES for ethane;9-[4-methyl-5-(2-methylphenyl)cyclohexa-1,5-dien-1-yl]-N-[3-methyl-2-(2-methylphenyl)phenyl]-N-spiro[5,6-dihydrofluorene-9,9'-fluorene]-4-ylcarbazol-2-amine;toluene is CC.Cc1ccccc1.Cc1ccccc1C1=CC(n2c3ccccc3c3ccc(N(c4cccc5c4C4=C(C=CCC4)C54c5ccccc5-c5ccccc54)c4cccc(C)c4-c4ccccc4C)cc32)=CCC1C.
What is the InChIKey of ethane;9-[4-methyl-5-(2-methylphenyl)cyclohexa-1,5-dien-1-yl]-N-[3-methyl-2-(2-methylphenyl)phenyl]-N-spiro[5,6-dihydrofluorene-9,9'-fluorene]-4-ylcarbazol-2-amine;toluene?
The InChIKey is WZSWDYKRYZSVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H52N2.C7H8.C2H6/c1-41-19-5-7-22-47(41)54-39-45(36-35-43(54)3)66-59-32-16-12-26-51(59)52-38-37-46(40-62(52)66)67(60-33-17-21-44(4)63(60)48-23-8-6-20-42(48)2)61-34-18-31-58-64(61)53-27-11-15-30-57(53)65(58)55-28-13-9-24-49(55)50-25-10-14-29-56(50)65;1-7-5-3-2-4-6-7;1-2/h5-10,12-26,28-34,36-40,43H,11,27,35H2,1-4H3;2-6H,1H3;1-2H3.
What are the key properties of ethane;9-[4-methyl-5-(2-methylphenyl)cyclohexa-1,5-dien-1-yl]-N-[3-methyl-2-(2-methylphenyl)phenyl]-N-spiro[5,6-dihydrofluorene-9,9'-fluorene]-4-ylcarbazol-2-amine;toluene?
ethane;9-[4-methyl-5-(2-methylphenyl)cyclohexa-1,5-dien-1-yl]-N-[3-methyl-2-(2-methylphenyl)phenyl]-N-spiro[5,6-dihydrofluorene-9,9'-fluorene]-4-ylcarbazol-2-amine;toluene has a molecular weight of 983.36 g/mol, XLogP of 20.27, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;9-[4-methyl-5-(2-methylphenyl)cyclohexa-1,5-dien-1-yl]-N-[3-methyl-2-(2-methylphenyl)phenyl]-N-spiro[5,6-dihydrofluorene-9,9'-fluorene]-4-ylcarbazol-2-amine;toluene is sourced from PubChem (CID 145345856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).