7-[9-methyl-1-(7'-methyl-9,9'-spirobi[fluorene]-2'-yl)carbazol-3-yl]-N,N-diphenylspiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2-amine

C76H52N2 — CID 145060191

IUPAC7-[9-methyl-1-(7'-methyl-9,9'-spirobi[fluorene]-2'-yl)carbazol-3-yl]-N,N-diphenylspiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2-amine
SMILESCc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(-c3cc(C4=CC5C(C=C4)c4ccc(N(c6ccccc6)c6ccccc6)cc4C54c5ccccc5-c5ccccc54)cc4c5ccccc5n(C)c34)ccc1-2
InChIInChI=1S/C76H52N2/c1-47-33-37-58-60-39-35-49(45-71(60)75(69(58)41-47)65-28-14-9-23-54(65)55-24-10-15-29-66(55)75)63-42-50(43-64-62-27-13-18-32-73(62)77(2)74(63)64)48-34-38-59-61-40-36-53(78(51-19-5-3-6-20-51)52-21-7-4-8-22-52)46-72(61)76(70(59)44-48)67-30-16-11-25-56(67)57-26-12-17-31-68(57)76/h3-46,59,70H,1-2H3
InChIKeyNDYMFSCODZMKNW-UHFFFAOYSA-N
MW993.27 g/mol
LogP18.80
Rot. Bonds5

About 7-[9-methyl-1-(7'-methyl-9,9'-spirobi[fluorene]-2'-yl)carbazol-3-yl]-N,N-diphenylspiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2-amine

7-[9-methyl-1-(7'-methyl-9,9'-spirobi[fluorene]-2'-yl)carbazol-3-yl]-N,N-diphenylspiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2-amine (PubChem CID 145060191) has the molecular formula C76H52N2 and a molecular weight of 993.27 g/mol. Its IUPAC name is 7-[9-methyl-1-(7'-methyl-9,9'-spirobi[fluorene]-2'-yl)carbazol-3-yl]-N,N-diphenylspiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2-amine.

Molecular Properties

Compound Name7-[9-methyl-1-(7'-methyl-9,9'-spirobi[fluorene]-2'-yl)carbazol-3-yl]-N,N-diphenylspiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2-amine
PubChem CID145060191
Molecular FormulaC76H52N2
Molecular Weight993.27 g/mol
Exact Mass992.41
IUPAC Name7-[9-methyl-1-(7'-methyl-9,9'-spirobi[fluorene]-2'-yl)carbazol-3-yl]-N,N-diphenylspiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2-amine
SMILESCc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(-c3cc(C4=CC5C(C=C4)c4ccc(N(c6ccccc6)c6ccccc6)cc4C54c5ccccc5-c5ccccc54)cc4c5ccccc5n(C)c34)ccc1-2
InChIInChI=1S/C76H52N2/c1-47-33-37-58-60-39-35-49(45-71(60)75(69(58)41-47)65-28-14-9-23-54(65)55-24-10-15-29-66(55)75)63-42-50(43-64-62-27-13-18-32-73(62)77(2)74(63)64)48-34-38-59-61-40-36-53(78(51-19-5-3-6-20-51)52-21-7-4-8-22-52)46-72(61)76(70(59)44-48)67-30-16-11-25-56(67)57-26-12-17-31-68(57)76/h3-46,59,70H,1-2H3
InChIKeyNDYMFSCODZMKNW-UHFFFAOYSA-N
XLogP18.80
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500993.27
LogP ≤ 518.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-[9-methyl-1-(7'-methyl-9,9'-spirobi[fluorene]-2'-yl)carbazol-3-yl]-N,N-diphenylspiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2-amine with MolForge

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Related Compounds

N-[4-[4-(N-(2',7'-dimethyl-9,9'-spirobi[fluorene]-2-yl)anilino)phenyl]phenyl]-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 158001186
2-methyl-N,N,7'-triphenyl-9,9'-spirobi[fluorene]-2'-amine
CID 21042261
2-methyl-N-[4-[4-(3-methyl-N-(2-methyl-9,9'-spirobi[fluorene]-2'-yl)anilino)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
CID 89334238
N-[4-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]phenyl]-N,4-diphenylaniline;N-[4-[2-[3-[9-(4-methylphenyl)carbazol-3-yl]phenyl]phenyl]phenyl]-N,4-diphenylaniline;7'-[9-(4-methylphenyl)carbazol-3-yl]-N-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine;7-[9-(4-methylphenyl)carbazol-3-yl]-N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 160565250
2-methyl-N-[9-(3-methylphenyl)-9-phenylfluoren-2-yl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
CID 177067341
4-N-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-4-N-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-1-N,1-N-diphenylbenzene-1,4-diamine
CID 70917255
2-N'-[4-(3-methylphenyl)phenyl]-7-N'-phenyl-2-N'-(4-phenylphenyl)-7-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',7'-diamine
CID 170019632
N-(4-carbazol-9-ylphenyl)-2',7'-diethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-(4-carbazol-9-ylphenyl)-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine;4-N-(2',7'-dimethyl-9,9'-spirobi[fluorene]-2-yl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;N,9-diphenyl-6-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine;N,9-diphenyl-6-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine;N,9-diphenyl-6-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine
CID 158758874
N-(4-carbazol-9-ylphenyl)-2',7'-diethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine;tris(N-(4-carbazol-9-ylphenyl)-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine)
CID 162201346
bis(N-(4-carbazol-9-ylphenyl)-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine);2',7'-ditert-butyl-N-(4-carbazol-9-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 157386600
2-N,2-N',2-N',7-N,7-N'-pentakis(4-methylphenyl)-2-N,7-N,7-N'-triphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 129292300
N-[4-[9-(3-methylcyclohexa-1,5-dien-1-yl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 135159348

Frequently Asked Questions

What is the IUPAC name of 7-[9-methyl-1-(7'-methyl-9,9'-spirobi[fluorene]-2'-yl)carbazol-3-yl]-N,N-diphenylspiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2-amine?
The IUPAC name of 7-[9-methyl-1-(7'-methyl-9,9'-spirobi[fluorene]-2'-yl)carbazol-3-yl]-N,N-diphenylspiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2-amine (CID 145060191) is 7-[9-methyl-1-(7'-methyl-9,9'-spirobi[fluorene]-2'-yl)carbazol-3-yl]-N,N-diphenylspiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2-amine.
What is the SMILES notation for 7-[9-methyl-1-(7'-methyl-9,9'-spirobi[fluorene]-2'-yl)carbazol-3-yl]-N,N-diphenylspiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2-amine?
The canonical SMILES for 7-[9-methyl-1-(7'-methyl-9,9'-spirobi[fluorene]-2'-yl)carbazol-3-yl]-N,N-diphenylspiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2-amine is Cc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(-c3cc(C4=CC5C(C=C4)c4ccc(N(c6ccccc6)c6ccccc6)cc4C54c5ccccc5-c5ccccc54)cc4c5ccccc5n(C)c34)ccc1-2.
What is the InChIKey of 7-[9-methyl-1-(7'-methyl-9,9'-spirobi[fluorene]-2'-yl)carbazol-3-yl]-N,N-diphenylspiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2-amine?
The InChIKey is NDYMFSCODZMKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H52N2/c1-47-33-37-58-60-39-35-49(45-71(60)75(69(58)41-47)65-28-14-9-23-54(65)55-24-10-15-29-66(55)75)63-42-50(43-64-62-27-13-18-32-73(62)77(2)74(63)64)48-34-38-59-61-40-36-53(78(51-19-5-3-6-20-51)52-21-7-4-8-22-52)46-72(61)76(70(59)44-48)67-30-16-11-25-56(67)57-26-12-17-31-68(57)76/h3-46,59,70H,1-2H3.
What are the key properties of 7-[9-methyl-1-(7'-methyl-9,9'-spirobi[fluorene]-2'-yl)carbazol-3-yl]-N,N-diphenylspiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2-amine?
7-[9-methyl-1-(7'-methyl-9,9'-spirobi[fluorene]-2'-yl)carbazol-3-yl]-N,N-diphenylspiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2-amine has a molecular weight of 993.27 g/mol, XLogP of 18.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[9-methyl-1-(7'-methyl-9,9'-spirobi[fluorene]-2'-yl)carbazol-3-yl]-N,N-diphenylspiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2-amine is sourced from PubChem (CID 145060191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).