1-N,3-N-bis(9-methyl-9-phenylfluoren-1-yl)-1-N,3-N-bis(4-phenylphenyl)-5-(9,9'-spirobi[fluorene]-3-yl)benzene-1,3-diamine

C95H66N2 — CID 121361349

IUPAC1-N,3-N-bis(9-methyl-9-phenylfluoren-1-yl)-1-N,3-N-bis(4-phenylphenyl)-5-(9,9'-spirobi[fluorene]-3-yl)benzene-1,3-diamine
SMILESCC1(c2ccccc2)c2ccccc2-c2cccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4ccc5c(c4)-c4ccccc4C54c5ccccc5-c5ccccc54)cc(N(c4ccc(-c5ccccc5)cc4)c4cccc5c4C(C)(c4ccccc4)c4ccccc4-5)c3)c21
InChIInChI=1S/C95H66N2/c1-93(69-31-11-5-12-32-69)83-42-20-15-37-77(83)80-40-25-47-89(91(80)93)96(71-54-49-65(50-55-71)63-27-7-3-8-28-63)73-59-68(67-53-58-88-82(61-67)79-39-19-24-46-87(79)95(88)85-44-22-17-35-75(85)76-36-18-23-45-86(76)95)60-74(62-73)97(72-56-51-66(52-57-72)64-29-9-4-10-30-64)90-48-26-41-81-78-38-16-21-43-84(78)94(2,92(81)90)70-33-13-6-14-34-70/h3-62H,1-2H3
InChIKeyWDCQIALKRUVLIT-UHFFFAOYSA-N
MW1235.59 g/mol
LogP24.64
Rot. Bonds11

About 1-N,3-N-bis(9-methyl-9-phenylfluoren-1-yl)-1-N,3-N-bis(4-phenylphenyl)-5-(9,9'-spirobi[fluorene]-3-yl)benzene-1,3-diamine

1-N,3-N-bis(9-methyl-9-phenylfluoren-1-yl)-1-N,3-N-bis(4-phenylphenyl)-5-(9,9'-spirobi[fluorene]-3-yl)benzene-1,3-diamine (PubChem CID 121361349) has the molecular formula C95H66N2 and a molecular weight of 1235.59 g/mol. Its IUPAC name is 1-N,3-N-bis(9-methyl-9-phenylfluoren-1-yl)-1-N,3-N-bis(4-phenylphenyl)-5-(9,9'-spirobi[fluorene]-3-yl)benzene-1,3-diamine.

Molecular Properties

Compound Name1-N,3-N-bis(9-methyl-9-phenylfluoren-1-yl)-1-N,3-N-bis(4-phenylphenyl)-5-(9,9'-spirobi[fluorene]-3-yl)benzene-1,3-diamine
PubChem CID121361349
Molecular FormulaC95H66N2
Molecular Weight1235.59 g/mol
Exact Mass1234.52
IUPAC Name1-N,3-N-bis(9-methyl-9-phenylfluoren-1-yl)-1-N,3-N-bis(4-phenylphenyl)-5-(9,9'-spirobi[fluorene]-3-yl)benzene-1,3-diamine
SMILESCC1(c2ccccc2)c2ccccc2-c2cccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4ccc5c(c4)-c4ccccc4C54c5ccccc5-c5ccccc54)cc(N(c4ccc(-c5ccccc5)cc4)c4cccc5c4C(C)(c4ccccc4)c4ccccc4-5)c3)c21
InChIInChI=1S/C95H66N2/c1-93(69-31-11-5-12-32-69)83-42-20-15-37-77(83)80-40-25-47-89(91(80)93)96(71-54-49-65(50-55-71)63-27-7-3-8-28-63)73-59-68(67-53-58-88-82(61-67)79-39-19-24-46-87(79)95(88)85-44-22-17-35-75(85)76-36-18-23-45-86(76)95)60-74(62-73)97(72-56-51-66(52-57-72)64-29-9-4-10-30-64)90-48-26-41-81-78-38-16-21-43-84(78)94(2,92(81)90)70-33-13-6-14-34-70/h3-62H,1-2H3
InChIKeyWDCQIALKRUVLIT-UHFFFAOYSA-N
XLogP24.64
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms97
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001235.59
LogP ≤ 524.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-N,3-N-bis(9-methyl-9-phenylfluoren-1-yl)-1-N,3-N-bis(4-phenylphenyl)-5-(9,9'-spirobi[fluorene]-3-yl)benzene-1,3-diamine with MolForge

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Related Compounds

9-methyl-9-(4-methylphenyl)-N,N-bis(4-phenylphenyl)fluoren-1-amine
CID 90277826
9-methyl-9-phenyl-N,N-bis(4-phenylphenyl)fluoren-1-amine;9-methyl-9-phenyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;N-[4-(9-methyl-9-phenylfluoren-1-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline;9-methyl-9-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine;9-methyl-9-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)fluoren-1-amine;9-(4-methylphenyl)-9-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)fluoren-3-amine
CID 161217657
N-(3,5-diphenylphenyl)-9-methyl-9-phenyl-N-(4-phenylphenyl)fluoren-4-amine
CID 118188510
3-N-(9,9-diphenylfluoren-3-yl)-1-N,1-N-diphenyl-3-N-[3-(9-phenylfluoren-9-yl)phenyl]benzene-1,3-diamine;3-N-(9,9-diphenylfluoren-1-yl)-3-N-[3-(9-phenylfluoren-9-yl)phenyl]-1-N-(3-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 161236726
N-(9-methyl-9-phenylfluoren-1-yl)-9,10-diphenyl-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine
CID 169062154
9,9-diphenyl-N,N-bis(4-phenylphenyl)fluoren-1-amine
CID 90277808
N-(9-methyl-9-phenylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 167177069
2-(9,9-dimethylfluoren-4-yl)-N-[4-[4'-[6-[4-[N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-4-(9-methyl-9-phenylfluoren-3-yl)anilino]phenyl]naphthalen-2-yl]-9,9'-spirobi[fluorene]-3-yl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170136312
3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-N-phenyl-N-[3-(3-phenylphenyl)phenyl]aniline
CID 167176479
N-[4-(3,5-diphenylphenyl)phenyl]-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-1-amine
CID 121381614
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[3-(3-phenylphenyl)phenyl]fluoren-1-amine;9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[3-(4-phenylphenyl)phenyl]fluoren-1-amine;9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]fluoren-1-amine
CID 161362577
N-(3,5-diphenylphenyl)-9-methyl-N-(9-methyl-9-phenylfluoren-3-yl)-9-phenylfluoren-3-amine
CID 171453475

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-bis(9-methyl-9-phenylfluoren-1-yl)-1-N,3-N-bis(4-phenylphenyl)-5-(9,9'-spirobi[fluorene]-3-yl)benzene-1,3-diamine?
The IUPAC name of 1-N,3-N-bis(9-methyl-9-phenylfluoren-1-yl)-1-N,3-N-bis(4-phenylphenyl)-5-(9,9'-spirobi[fluorene]-3-yl)benzene-1,3-diamine (CID 121361349) is 1-N,3-N-bis(9-methyl-9-phenylfluoren-1-yl)-1-N,3-N-bis(4-phenylphenyl)-5-(9,9'-spirobi[fluorene]-3-yl)benzene-1,3-diamine.
What is the SMILES notation for 1-N,3-N-bis(9-methyl-9-phenylfluoren-1-yl)-1-N,3-N-bis(4-phenylphenyl)-5-(9,9'-spirobi[fluorene]-3-yl)benzene-1,3-diamine?
The canonical SMILES for 1-N,3-N-bis(9-methyl-9-phenylfluoren-1-yl)-1-N,3-N-bis(4-phenylphenyl)-5-(9,9'-spirobi[fluorene]-3-yl)benzene-1,3-diamine is CC1(c2ccccc2)c2ccccc2-c2cccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4ccc5c(c4)-c4ccccc4C54c5ccccc5-c5ccccc54)cc(N(c4ccc(-c5ccccc5)cc4)c4cccc5c4C(C)(c4ccccc4)c4ccccc4-5)c3)c21.
What is the InChIKey of 1-N,3-N-bis(9-methyl-9-phenylfluoren-1-yl)-1-N,3-N-bis(4-phenylphenyl)-5-(9,9'-spirobi[fluorene]-3-yl)benzene-1,3-diamine?
The InChIKey is WDCQIALKRUVLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C95H66N2/c1-93(69-31-11-5-12-32-69)83-42-20-15-37-77(83)80-40-25-47-89(91(80)93)96(71-54-49-65(50-55-71)63-27-7-3-8-28-63)73-59-68(67-53-58-88-82(61-67)79-39-19-24-46-87(79)95(88)85-44-22-17-35-75(85)76-36-18-23-45-86(76)95)60-74(62-73)97(72-56-51-66(52-57-72)64-29-9-4-10-30-64)90-48-26-41-81-78-38-16-21-43-84(78)94(2,92(81)90)70-33-13-6-14-34-70/h3-62H,1-2H3.
What are the key properties of 1-N,3-N-bis(9-methyl-9-phenylfluoren-1-yl)-1-N,3-N-bis(4-phenylphenyl)-5-(9,9'-spirobi[fluorene]-3-yl)benzene-1,3-diamine?
1-N,3-N-bis(9-methyl-9-phenylfluoren-1-yl)-1-N,3-N-bis(4-phenylphenyl)-5-(9,9'-spirobi[fluorene]-3-yl)benzene-1,3-diamine has a molecular weight of 1235.59 g/mol, XLogP of 24.64, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-bis(9-methyl-9-phenylfluoren-1-yl)-1-N,3-N-bis(4-phenylphenyl)-5-(9,9'-spirobi[fluorene]-3-yl)benzene-1,3-diamine is sourced from PubChem (CID 121361349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).