9,9-dimethyl-4-[9-methyl-2,7-bis(N-naphthalen-1-ylanilino)fluoren-9-yl]-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine

C93H68N4 — CID 139968338

IUPAC9,9-dimethyl-4-[9-methyl-2,7-bis(N-naphthalen-1-ylanilino)fluoren-9-yl]-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine
SMILESCC1(C)c2cc(N(c3ccccc3)c3cccc4ccccc34)ccc2-c2c1cc(N(c1ccccc1)c1cccc3ccccc13)cc2C1(C)c2cc(N(c3ccccc3)c3cccc4ccccc34)ccc2-c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc21
InChIInChI=1S/C93H68N4/c1-92(2)82-58-71(94(67-36-8-4-9-37-67)87-48-24-32-63-28-16-20-44-75(63)87)54-57-81(82)91-85(92)61-74(97(70-42-14-7-15-43-70)90-51-27-35-66-31-19-23-47-78(66)90)62-86(91)93(3)83-59-72(95(68-38-10-5-11-39-68)88-49-25-33-64-29-17-21-45-76(64)88)52-55-79(83)80-56-53-73(60-84(80)93)96(69-40-12-6-13-41-69)89-50-26-34-65-30-18-22-46-77(65)89/h4-62H,1-3H3
InChIKeyQDBGPCJTLBEMHZ-UHFFFAOYSA-N
MW1241.60 g/mol
LogP25.82
Rot. Bonds13

About 9,9-dimethyl-4-[9-methyl-2,7-bis(N-naphthalen-1-ylanilino)fluoren-9-yl]-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine

9,9-dimethyl-4-[9-methyl-2,7-bis(N-naphthalen-1-ylanilino)fluoren-9-yl]-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine (PubChem CID 139968338) has the molecular formula C93H68N4 and a molecular weight of 1241.60 g/mol. Its IUPAC name is 9,9-dimethyl-4-[9-methyl-2,7-bis(N-naphthalen-1-ylanilino)fluoren-9-yl]-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine.

Molecular Properties

Compound Name9,9-dimethyl-4-[9-methyl-2,7-bis(N-naphthalen-1-ylanilino)fluoren-9-yl]-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine
PubChem CID139968338
Molecular FormulaC93H68N4
Molecular Weight1241.60 g/mol
Exact Mass1240.54
IUPAC Name9,9-dimethyl-4-[9-methyl-2,7-bis(N-naphthalen-1-ylanilino)fluoren-9-yl]-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine
SMILESCC1(C)c2cc(N(c3ccccc3)c3cccc4ccccc34)ccc2-c2c1cc(N(c1ccccc1)c1cccc3ccccc13)cc2C1(C)c2cc(N(c3ccccc3)c3cccc4ccccc34)ccc2-c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc21
InChIInChI=1S/C93H68N4/c1-92(2)82-58-71(94(67-36-8-4-9-37-67)87-48-24-32-63-28-16-20-44-75(63)87)54-57-81(82)91-85(92)61-74(97(70-42-14-7-15-43-70)90-51-27-35-66-31-19-23-47-78(66)90)62-86(91)93(3)83-59-72(95(68-38-10-5-11-39-68)88-49-25-33-64-29-17-21-45-76(64)88)52-55-79(83)80-56-53-73(60-84(80)93)96(69-40-12-6-13-41-69)89-50-26-34-65-30-18-22-46-77(65)89/h4-62H,1-3H3
InChIKeyQDBGPCJTLBEMHZ-UHFFFAOYSA-N
XLogP25.82
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms97
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001241.60
LogP ≤ 525.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9,9-dimethyl-4-[9-methyl-2,7-bis(N-naphthalen-1-ylanilino)fluoren-9-yl]-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine with MolForge

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Related Compounds

6,6,12,12-tetramethyl-2-N,2-N,8-N,8-N-tetrakis[4-(N-naphthalen-1-ylanilino)phenyl]indeno[1,2-b]fluorene-2,8-diamine
CID 59801002
9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]fluorene-2,7-diamine
CID 58713802
9,9-dimethyl-N-naphthalen-1-yl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118245872
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 58983323
N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;1-N,1-N-diphenyl-4-N,4-N-bis[4-(N-phenylanilino)phenyl]benzene-1,4-diamine;4-N-naphthalen-1-yl-1-N,1-N-bis[4-(N-naphthalen-1-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine;2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 159694712
1-N-(9,9-dimethylfluoren-2-yl)-4-N-naphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 59025130
9,9-dimethyl-N-[4-[4-[4-(N-naphthalen-1-ylanilino)phenyl]-2,5-diphenylphenyl]phenyl]-N-phenylfluoren-2-amine
CID 176611486
9,9-dimethyl-N-[4-[4-[N-naphthalen-1-yl-4-(3-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine;N-[4-(3-phenylphenyl)phenyl]-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]naphthalen-1-amine
CID 158708214
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[5-(N-naphthalen-1-ylanilino)naphthalen-1-yl]phenyl]fluoren-2-amine
CID 59221637
N-[4-[4-(N-(3,5-diphenylphenyl)-4-phenylanilino)phenyl]phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 59861267
9,9-dimethyl-N,N-dinaphthalen-1-yl-7-[2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine
CID 76639589
10,10-dimethyl-7-N,14-N,18-N,21-N-tetranaphthalen-1-yl-7-N,14-N,18-N,21-N-tetraphenylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-7,14,18,21-tetramine
CID 88555696

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-4-[9-methyl-2,7-bis(N-naphthalen-1-ylanilino)fluoren-9-yl]-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine?
The IUPAC name of 9,9-dimethyl-4-[9-methyl-2,7-bis(N-naphthalen-1-ylanilino)fluoren-9-yl]-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine (CID 139968338) is 9,9-dimethyl-4-[9-methyl-2,7-bis(N-naphthalen-1-ylanilino)fluoren-9-yl]-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine.
What is the SMILES notation for 9,9-dimethyl-4-[9-methyl-2,7-bis(N-naphthalen-1-ylanilino)fluoren-9-yl]-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine?
The canonical SMILES for 9,9-dimethyl-4-[9-methyl-2,7-bis(N-naphthalen-1-ylanilino)fluoren-9-yl]-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine is CC1(C)c2cc(N(c3ccccc3)c3cccc4ccccc34)ccc2-c2c1cc(N(c1ccccc1)c1cccc3ccccc13)cc2C1(C)c2cc(N(c3ccccc3)c3cccc4ccccc34)ccc2-c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc21.
What is the InChIKey of 9,9-dimethyl-4-[9-methyl-2,7-bis(N-naphthalen-1-ylanilino)fluoren-9-yl]-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine?
The InChIKey is QDBGPCJTLBEMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C93H68N4/c1-92(2)82-58-71(94(67-36-8-4-9-37-67)87-48-24-32-63-28-16-20-44-75(63)87)54-57-81(82)91-85(92)61-74(97(70-42-14-7-15-43-70)90-51-27-35-66-31-19-23-47-78(66)90)62-86(91)93(3)83-59-72(95(68-38-10-5-11-39-68)88-49-25-33-64-29-17-21-45-76(64)88)52-55-79(83)80-56-53-73(60-84(80)93)96(69-40-12-6-13-41-69)89-50-26-34-65-30-18-22-46-77(65)89/h4-62H,1-3H3.
What are the key properties of 9,9-dimethyl-4-[9-methyl-2,7-bis(N-naphthalen-1-ylanilino)fluoren-9-yl]-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine?
9,9-dimethyl-4-[9-methyl-2,7-bis(N-naphthalen-1-ylanilino)fluoren-9-yl]-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine has a molecular weight of 1241.60 g/mol, XLogP of 25.82, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-4-[9-methyl-2,7-bis(N-naphthalen-1-ylanilino)fluoren-9-yl]-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine is sourced from PubChem (CID 139968338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).