11,11,12,12-tetramethyl-2-N,9-N,9-N-triphenyl-2-N-[3-[4-(N-[6,6,12,12-tetramethyl-8-(N-phenylanilino)indeno[1,2-b]fluoren-2-yl]anilino)phenyl]phenyl]indeno[2,1-a]fluorene-2,9-diamine

C96H78N4 — CID 134269456

IUPAC11,11,12,12-tetramethyl-2-N,9-N,9-N-triphenyl-2-N-[3-[4-(N-[6,6,12,12-tetramethyl-8-(N-phenylanilino)indeno[1,2-b]fluoren-2-yl]anilino)phenyl]phenyl]indeno[2,1-a]fluorene-2,9-diamine
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2cc3c(cc21)-c1ccc(N(c2ccccc2)c2ccc(-c4cccc(N(c5ccccc5)c5ccc6c(c5)C(C)(C)c5c-6ccc6c5C(C)(C)c5cc(N(c7ccccc7)c7ccccc7)ccc5-6)c4)cc2)cc1C3(C)C
InChIInChI=1S/C96H78N4/c1-93(2)85-57-73(97(65-29-15-9-16-30-65)66-31-17-10-18-32-66)48-52-79(85)83-61-90-84(62-89(83)93)80-53-49-74(58-86(80)94(90,3)4)99(69-37-23-13-24-38-69)71-44-42-63(43-45-71)64-28-27-41-72(56-64)100(70-39-25-14-26-40-70)76-47-51-78-82-55-54-81-77-50-46-75(98(67-33-19-11-20-34-67)68-35-21-12-22-36-68)59-87(77)95(5,6)91(81)92(82)96(7,8)88(78)60-76/h9-62H,1-8H3
InChIKeyFCDHIACHKAWZFG-UHFFFAOYSA-N
MW1287.71 g/mol
LogP26.46
Rot. Bonds13

About 11,11,12,12-tetramethyl-2-N,9-N,9-N-triphenyl-2-N-[3-[4-(N-[6,6,12,12-tetramethyl-8-(N-phenylanilino)indeno[1,2-b]fluoren-2-yl]anilino)phenyl]phenyl]indeno[2,1-a]fluorene-2,9-diamine

11,11,12,12-tetramethyl-2-N,9-N,9-N-triphenyl-2-N-[3-[4-(N-[6,6,12,12-tetramethyl-8-(N-phenylanilino)indeno[1,2-b]fluoren-2-yl]anilino)phenyl]phenyl]indeno[2,1-a]fluorene-2,9-diamine (PubChem CID 134269456) has the molecular formula C96H78N4 and a molecular weight of 1287.71 g/mol. Its IUPAC name is 11,11,12,12-tetramethyl-2-N,9-N,9-N-triphenyl-2-N-[3-[4-(N-[6,6,12,12-tetramethyl-8-(N-phenylanilino)indeno[1,2-b]fluoren-2-yl]anilino)phenyl]phenyl]indeno[2,1-a]fluorene-2,9-diamine.

Molecular Properties

Compound Name11,11,12,12-tetramethyl-2-N,9-N,9-N-triphenyl-2-N-[3-[4-(N-[6,6,12,12-tetramethyl-8-(N-phenylanilino)indeno[1,2-b]fluoren-2-yl]anilino)phenyl]phenyl]indeno[2,1-a]fluorene-2,9-diamine
PubChem CID134269456
Molecular FormulaC96H78N4
Molecular Weight1287.71 g/mol
Exact Mass1286.62
IUPAC Name11,11,12,12-tetramethyl-2-N,9-N,9-N-triphenyl-2-N-[3-[4-(N-[6,6,12,12-tetramethyl-8-(N-phenylanilino)indeno[1,2-b]fluoren-2-yl]anilino)phenyl]phenyl]indeno[2,1-a]fluorene-2,9-diamine
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2cc3c(cc21)-c1ccc(N(c2ccccc2)c2ccc(-c4cccc(N(c5ccccc5)c5ccc6c(c5)C(C)(C)c5c-6ccc6c5C(C)(C)c5cc(N(c7ccccc7)c7ccccc7)ccc5-6)c4)cc2)cc1C3(C)C
InChIInChI=1S/C96H78N4/c1-93(2)85-57-73(97(65-29-15-9-16-30-65)66-31-17-10-18-32-66)48-52-79(85)83-61-90-84(62-89(83)93)80-53-49-74(58-86(80)94(90,3)4)99(69-37-23-13-24-38-69)71-44-42-63(43-45-71)64-28-27-41-72(56-64)100(70-39-25-14-26-40-70)76-47-51-78-82-55-54-81-77-50-46-75(98(67-33-19-11-20-34-67)68-35-21-12-22-36-68)59-87(77)95(5,6)91(81)92(82)96(7,8)88(78)60-76/h9-62H,1-8H3
InChIKeyFCDHIACHKAWZFG-UHFFFAOYSA-N
XLogP26.46
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms100
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001287.71
LogP ≤ 526.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 11,11,12,12-tetramethyl-2-N,9-N,9-N-triphenyl-2-N-[3-[4-(N-[6,6,12,12-tetramethyl-8-(N-phenylanilino)indeno[1,2-b]fluoren-2-yl]anilino)phenyl]phenyl]indeno[2,1-a]fluorene-2,9-diamine with MolForge

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Related Compounds

9,9-dimethyl-7-phenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 131994094
11,11,12,12-tetramethyl-2-N,2-N,9-N,9-N-tetrakis(4-phenylphenyl)indeno[2,1-a]fluorene-2,9-diamine
CID 89308295
6,6,12,12-tetramethyl-7-phenyl-N,N-bis(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine
CID 138455813
N-[4-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 169230595
N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 138498501
9,9-dimethyl-7-(4-phenylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118428445
N-(9,9-dimethylfluoren-2-yl)-6,6,12,12-tetramethyl-7-phenyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine
CID 142541052
2-N,7-N-bis[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 23561352
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-9,9-dimethyl-7-phenylfluoren-2-amine
CID 118428449
2-N,2-N,7-N,7-N-tetrakis(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethylfluorene-2,7-diamine
CID 20759573
N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 161087354
9,9-dimethyl-N-(3-methylphenyl)-7-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118428426

Frequently Asked Questions

What is the IUPAC name of 11,11,12,12-tetramethyl-2-N,9-N,9-N-triphenyl-2-N-[3-[4-(N-[6,6,12,12-tetramethyl-8-(N-phenylanilino)indeno[1,2-b]fluoren-2-yl]anilino)phenyl]phenyl]indeno[2,1-a]fluorene-2,9-diamine?
The IUPAC name of 11,11,12,12-tetramethyl-2-N,9-N,9-N-triphenyl-2-N-[3-[4-(N-[6,6,12,12-tetramethyl-8-(N-phenylanilino)indeno[1,2-b]fluoren-2-yl]anilino)phenyl]phenyl]indeno[2,1-a]fluorene-2,9-diamine (CID 134269456) is 11,11,12,12-tetramethyl-2-N,9-N,9-N-triphenyl-2-N-[3-[4-(N-[6,6,12,12-tetramethyl-8-(N-phenylanilino)indeno[1,2-b]fluoren-2-yl]anilino)phenyl]phenyl]indeno[2,1-a]fluorene-2,9-diamine.
What is the SMILES notation for 11,11,12,12-tetramethyl-2-N,9-N,9-N-triphenyl-2-N-[3-[4-(N-[6,6,12,12-tetramethyl-8-(N-phenylanilino)indeno[1,2-b]fluoren-2-yl]anilino)phenyl]phenyl]indeno[2,1-a]fluorene-2,9-diamine?
The canonical SMILES for 11,11,12,12-tetramethyl-2-N,9-N,9-N-triphenyl-2-N-[3-[4-(N-[6,6,12,12-tetramethyl-8-(N-phenylanilino)indeno[1,2-b]fluoren-2-yl]anilino)phenyl]phenyl]indeno[2,1-a]fluorene-2,9-diamine is CC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2cc3c(cc21)-c1ccc(N(c2ccccc2)c2ccc(-c4cccc(N(c5ccccc5)c5ccc6c(c5)C(C)(C)c5c-6ccc6c5C(C)(C)c5cc(N(c7ccccc7)c7ccccc7)ccc5-6)c4)cc2)cc1C3(C)C.
What is the InChIKey of 11,11,12,12-tetramethyl-2-N,9-N,9-N-triphenyl-2-N-[3-[4-(N-[6,6,12,12-tetramethyl-8-(N-phenylanilino)indeno[1,2-b]fluoren-2-yl]anilino)phenyl]phenyl]indeno[2,1-a]fluorene-2,9-diamine?
The InChIKey is FCDHIACHKAWZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H78N4/c1-93(2)85-57-73(97(65-29-15-9-16-30-65)66-31-17-10-18-32-66)48-52-79(85)83-61-90-84(62-89(83)93)80-53-49-74(58-86(80)94(90,3)4)99(69-37-23-13-24-38-69)71-44-42-63(43-45-71)64-28-27-41-72(56-64)100(70-39-25-14-26-40-70)76-47-51-78-82-55-54-81-77-50-46-75(98(67-33-19-11-20-34-67)68-35-21-12-22-36-68)59-87(77)95(5,6)91(81)92(82)96(7,8)88(78)60-76/h9-62H,1-8H3.
What are the key properties of 11,11,12,12-tetramethyl-2-N,9-N,9-N-triphenyl-2-N-[3-[4-(N-[6,6,12,12-tetramethyl-8-(N-phenylanilino)indeno[1,2-b]fluoren-2-yl]anilino)phenyl]phenyl]indeno[2,1-a]fluorene-2,9-diamine?
11,11,12,12-tetramethyl-2-N,9-N,9-N-triphenyl-2-N-[3-[4-(N-[6,6,12,12-tetramethyl-8-(N-phenylanilino)indeno[1,2-b]fluoren-2-yl]anilino)phenyl]phenyl]indeno[2,1-a]fluorene-2,9-diamine has a molecular weight of 1287.71 g/mol, XLogP of 26.46, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11,12,12-tetramethyl-2-N,9-N,9-N-triphenyl-2-N-[3-[4-(N-[6,6,12,12-tetramethyl-8-(N-phenylanilino)indeno[1,2-b]fluoren-2-yl]anilino)phenyl]phenyl]indeno[2,1-a]fluorene-2,9-diamine is sourced from PubChem (CID 134269456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).