7-[3-(9,9-dibutyl-7-methylfluoren-2-yl)-6-methylcarbazol-9-yl]-N,N-bis(4-methylphenyl)-9,9-diphenylfluoren-2-amine

C74H66N2 — CID 121324360

IUPAC7-[3-(9,9-dibutyl-7-methylfluoren-2-yl)-6-methylcarbazol-9-yl]-N,N-bis(4-methylphenyl)-9,9-diphenylfluoren-2-amine
SMILESCCCCC1(CCCC)c2cc(C)ccc2-c2ccc(-c3ccc4c(c3)c3cc(C)ccc3n4-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(N(c5ccc(C)cc5)c5ccc(C)cc5)ccc3-4)cc21
InChIInChI=1S/C74H66N2/c1-7-9-41-73(42-10-8-2)67-44-52(6)25-35-61(67)62-36-27-54(46-68(62)73)53-28-40-72-66(45-53)65-43-51(5)26-39-71(65)76(72)60-34-38-64-63-37-33-59(75(57-29-21-49(3)22-30-57)58-31-23-50(4)24-32-58)47-69(63)74(70(64)48-60,55-17-13-11-14-18-55)56-19-15-12-16-20-56/h11-40,43-48H,7-10,41-42H2,1-6H3
InChIKeySMVMYPHEKRTZFU-UHFFFAOYSA-N
MW983.36 g/mol
LogP20.16
Rot. Bonds13

About 7-[3-(9,9-dibutyl-7-methylfluoren-2-yl)-6-methylcarbazol-9-yl]-N,N-bis(4-methylphenyl)-9,9-diphenylfluoren-2-amine

7-[3-(9,9-dibutyl-7-methylfluoren-2-yl)-6-methylcarbazol-9-yl]-N,N-bis(4-methylphenyl)-9,9-diphenylfluoren-2-amine (PubChem CID 121324360) has the molecular formula C74H66N2 and a molecular weight of 983.36 g/mol. Its IUPAC name is 7-[3-(9,9-dibutyl-7-methylfluoren-2-yl)-6-methylcarbazol-9-yl]-N,N-bis(4-methylphenyl)-9,9-diphenylfluoren-2-amine.

Molecular Properties

Compound Name7-[3-(9,9-dibutyl-7-methylfluoren-2-yl)-6-methylcarbazol-9-yl]-N,N-bis(4-methylphenyl)-9,9-diphenylfluoren-2-amine
PubChem CID121324360
Molecular FormulaC74H66N2
Molecular Weight983.36 g/mol
Exact Mass982.52
IUPAC Name7-[3-(9,9-dibutyl-7-methylfluoren-2-yl)-6-methylcarbazol-9-yl]-N,N-bis(4-methylphenyl)-9,9-diphenylfluoren-2-amine
SMILESCCCCC1(CCCC)c2cc(C)ccc2-c2ccc(-c3ccc4c(c3)c3cc(C)ccc3n4-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(N(c5ccc(C)cc5)c5ccc(C)cc5)ccc3-4)cc21
InChIInChI=1S/C74H66N2/c1-7-9-41-73(42-10-8-2)67-44-52(6)25-35-61(67)62-36-27-54(46-68(62)73)53-28-40-72-66(45-53)65-43-51(5)26-39-71(65)76(72)60-34-38-64-63-37-33-59(75(57-29-21-49(3)22-30-57)58-31-23-50(4)24-32-58)47-69(63)74(70(64)48-60,55-17-13-11-14-18-55)56-19-15-12-16-20-56/h11-40,43-48H,7-10,41-42H2,1-6H3
InChIKeySMVMYPHEKRTZFU-UHFFFAOYSA-N
XLogP20.16
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500983.36
LogP ≤ 520.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-methyl-N-(7-methyl-9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-[4-[6-phenyl-9-[4-(N-(3-phenylphenyl)anilino)phenyl]carbazol-3-yl]phenyl]fluoren-2-amine
CID 177287799
N-[4-(6-methyl-9-phenylcarbazol-3-yl)phenyl]-N,9,9-triphenylfluoren-2-amine
CID 118282619
N-[7-(9,9-didodecyl-7-methylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[4-[9-(4-hexylphenyl)carbazol-3-yl]phenyl]-7,9,9-trimethylfluoren-2-amine
CID 177287687
9,9-dihexyl-7-[2-methyl-7-[7-methyl-9-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]carbazol-2-yl]carbazol-9-yl]-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 134212481
9,9-dibutyl-7-carbazol-9-yl-N-[3-(2-phenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 90085878
9,9-dibutyl-N-[6-[10-(9,9-dibutylfluoren-2-yl)anthracen-9-yl]naphthalen-2-yl]-N-(9,9-dibutyl-7-methylfluoren-2-yl)-7-methylfluoren-2-amine
CID 168837036
9,9-dibutyl-7-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 58389946
N-[4-(9,9-didodecyl-7-methylfluoren-2-yl)phenyl]-N-[4-[9-[3-[4-(4-hexylphenyl)phenyl]phenyl]carbazol-3-yl]phenyl]-4-methylaniline
CID 170261213
9,9-dibutyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 86165804
N-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-4-yl]phenyl]-4-methyl-N-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]aniline
CID 170261189
N-[4-[6-(3,6-diphenylcarbazol-9-yl)-9-triphenylen-2-ylcarbazol-3-yl]phenyl]-N,9,9-triphenylfluoren-2-amine
CID 89492077
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

Frequently Asked Questions

What is the IUPAC name of 7-[3-(9,9-dibutyl-7-methylfluoren-2-yl)-6-methylcarbazol-9-yl]-N,N-bis(4-methylphenyl)-9,9-diphenylfluoren-2-amine?
The IUPAC name of 7-[3-(9,9-dibutyl-7-methylfluoren-2-yl)-6-methylcarbazol-9-yl]-N,N-bis(4-methylphenyl)-9,9-diphenylfluoren-2-amine (CID 121324360) is 7-[3-(9,9-dibutyl-7-methylfluoren-2-yl)-6-methylcarbazol-9-yl]-N,N-bis(4-methylphenyl)-9,9-diphenylfluoren-2-amine.
What is the SMILES notation for 7-[3-(9,9-dibutyl-7-methylfluoren-2-yl)-6-methylcarbazol-9-yl]-N,N-bis(4-methylphenyl)-9,9-diphenylfluoren-2-amine?
The canonical SMILES for 7-[3-(9,9-dibutyl-7-methylfluoren-2-yl)-6-methylcarbazol-9-yl]-N,N-bis(4-methylphenyl)-9,9-diphenylfluoren-2-amine is CCCCC1(CCCC)c2cc(C)ccc2-c2ccc(-c3ccc4c(c3)c3cc(C)ccc3n4-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(N(c5ccc(C)cc5)c5ccc(C)cc5)ccc3-4)cc21.
What is the InChIKey of 7-[3-(9,9-dibutyl-7-methylfluoren-2-yl)-6-methylcarbazol-9-yl]-N,N-bis(4-methylphenyl)-9,9-diphenylfluoren-2-amine?
The InChIKey is SMVMYPHEKRTZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H66N2/c1-7-9-41-73(42-10-8-2)67-44-52(6)25-35-61(67)62-36-27-54(46-68(62)73)53-28-40-72-66(45-53)65-43-51(5)26-39-71(65)76(72)60-34-38-64-63-37-33-59(75(57-29-21-49(3)22-30-57)58-31-23-50(4)24-32-58)47-69(63)74(70(64)48-60,55-17-13-11-14-18-55)56-19-15-12-16-20-56/h11-40,43-48H,7-10,41-42H2,1-6H3.
What are the key properties of 7-[3-(9,9-dibutyl-7-methylfluoren-2-yl)-6-methylcarbazol-9-yl]-N,N-bis(4-methylphenyl)-9,9-diphenylfluoren-2-amine?
7-[3-(9,9-dibutyl-7-methylfluoren-2-yl)-6-methylcarbazol-9-yl]-N,N-bis(4-methylphenyl)-9,9-diphenylfluoren-2-amine has a molecular weight of 983.36 g/mol, XLogP of 20.16, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(9,9-dibutyl-7-methylfluoren-2-yl)-6-methylcarbazol-9-yl]-N,N-bis(4-methylphenyl)-9,9-diphenylfluoren-2-amine is sourced from PubChem (CID 121324360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).