N-(9,9-dimethylfluoren-2-yl)-4'-[4-[4-[(9,9-dimethylfluoren-2-yl)-(9,9'-spirobi[fluorene]-3-yl)amino]phenyl]phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine

C104H72N2 — CID 138643316

IUPACN-(9,9-dimethylfluoren-2-yl)-4'-[4-[4-[(9,9-dimethylfluoren-2-yl)-(9,9'-spirobi[fluorene]-3-yl)amino]phenyl]phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6cc(N(c7ccc8c(c7)C(C)(C)c7ccccc7-8)c7ccccc7-c7ccccc7)ccc65)cc4)cc3)c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)cc21
InChIInChI=1S/C104H72N2/c1-101(2)87-36-16-8-28-76(87)82-57-53-72(63-97(82)101)105(70-55-59-94-85(61-70)80-32-12-20-40-91(80)103(94)89-38-18-10-30-78(89)79-31-11-19-39-90(79)103)69-51-49-66(50-52-69)65-45-47-68(48-46-65)75-35-24-43-96-100(75)84-34-14-22-42-93(84)104(96)92-41-21-13-33-81(92)86-62-71(56-60-95(86)104)106(99-44-23-15-27-74(99)67-25-6-5-7-26-67)73-54-58-83-77-29-9-17-37-88(77)102(3,4)98(83)64-73/h5-64H,1-4H3
InChIKeyGQQZJAQBKYJKER-UHFFFAOYSA-N
MW1349.73 g/mol
LogP26.93
Rot. Bonds9

About N-(9,9-dimethylfluoren-2-yl)-4'-[4-[4-[(9,9-dimethylfluoren-2-yl)-(9,9'-spirobi[fluorene]-3-yl)amino]phenyl]phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine

N-(9,9-dimethylfluoren-2-yl)-4'-[4-[4-[(9,9-dimethylfluoren-2-yl)-(9,9'-spirobi[fluorene]-3-yl)amino]phenyl]phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine (PubChem CID 138643316) has the molecular formula C104H72N2 and a molecular weight of 1349.73 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-4'-[4-[4-[(9,9-dimethylfluoren-2-yl)-(9,9'-spirobi[fluorene]-3-yl)amino]phenyl]phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-4'-[4-[4-[(9,9-dimethylfluoren-2-yl)-(9,9'-spirobi[fluorene]-3-yl)amino]phenyl]phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
PubChem CID138643316
Molecular FormulaC104H72N2
Molecular Weight1349.73 g/mol
Exact Mass1348.57
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-4'-[4-[4-[(9,9-dimethylfluoren-2-yl)-(9,9'-spirobi[fluorene]-3-yl)amino]phenyl]phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6cc(N(c7ccc8c(c7)C(C)(C)c7ccccc7-8)c7ccccc7-c7ccccc7)ccc65)cc4)cc3)c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)cc21
InChIInChI=1S/C104H72N2/c1-101(2)87-36-16-8-28-76(87)82-57-53-72(63-97(82)101)105(70-55-59-94-85(61-70)80-32-12-20-40-91(80)103(94)89-38-18-10-30-78(89)79-31-11-19-39-90(79)103)69-51-49-66(50-52-69)65-45-47-68(48-46-65)75-35-24-43-96-100(75)84-34-14-22-42-93(84)104(96)92-41-21-13-33-81(92)86-62-71(56-60-95(86)104)106(99-44-23-15-27-74(99)67-25-6-5-7-26-67)73-54-58-83-77-29-9-17-37-88(77)102(3,4)98(83)64-73/h5-64H,1-4H3
InChIKeyGQQZJAQBKYJKER-UHFFFAOYSA-N
XLogP26.93
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms106
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001349.73
LogP ≤ 526.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(9,9-dimethylfluoren-2-yl)-4'-[4-[4-[(9,9-dimethylfluoren-2-yl)-(9,9'-spirobi[fluorene]-3-yl)amino]phenyl]phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-2,5'-diphenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 154588633
9,9-dimethyl-N-(4-phenylphenyl)-N-[2-(9,9'-spirobi[fluorene]-2-yl)phenyl]fluoren-2-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]aniline;N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine
CID 167649128
2-N'-(9,9-dimethylfluoren-2-yl)-2-N'-phenyl-4-N-(2-phenylphenyl)-4-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915496
N-(2,4-diphenylphenyl)-9,9-dimethyl-N-[4-(4-phenyl-9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine
CID 129258823
N-(9,9-dimethylfluoren-2-yl)-4'-phenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129258991
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine;N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine;N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 158470030
N-(9,9-dimethylfluoren-3-yl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-3-amine;N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-[2-(4-phenylphenyl)phenyl]fluoren-3-amine;N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-3-amine;N-(9,9-diphenylfluoren-3-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-3-amine
CID 160891941
3-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]aniline
CID 129266899
N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline;N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline
CID 157243923
N-(9,9-dimethylfluoren-2-yl)-N-[3-phenyl-4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 129267147
N-(9,9-dimethylfluoren-2-yl)-4'-(2,4-diphenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129258891
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine
CID 130325443

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-4'-[4-[4-[(9,9-dimethylfluoren-2-yl)-(9,9'-spirobi[fluorene]-3-yl)amino]phenyl]phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-4'-[4-[4-[(9,9-dimethylfluoren-2-yl)-(9,9'-spirobi[fluorene]-3-yl)amino]phenyl]phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine (CID 138643316) is N-(9,9-dimethylfluoren-2-yl)-4'-[4-[4-[(9,9-dimethylfluoren-2-yl)-(9,9'-spirobi[fluorene]-3-yl)amino]phenyl]phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-4'-[4-[4-[(9,9-dimethylfluoren-2-yl)-(9,9'-spirobi[fluorene]-3-yl)amino]phenyl]phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-4'-[4-[4-[(9,9-dimethylfluoren-2-yl)-(9,9'-spirobi[fluorene]-3-yl)amino]phenyl]phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6cc(N(c7ccc8c(c7)C(C)(C)c7ccccc7-8)c7ccccc7-c7ccccc7)ccc65)cc4)cc3)c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-4'-[4-[4-[(9,9-dimethylfluoren-2-yl)-(9,9'-spirobi[fluorene]-3-yl)amino]phenyl]phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine?
The InChIKey is GQQZJAQBKYJKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C104H72N2/c1-101(2)87-36-16-8-28-76(87)82-57-53-72(63-97(82)101)105(70-55-59-94-85(61-70)80-32-12-20-40-91(80)103(94)89-38-18-10-30-78(89)79-31-11-19-39-90(79)103)69-51-49-66(50-52-69)65-45-47-68(48-46-65)75-35-24-43-96-100(75)84-34-14-22-42-93(84)104(96)92-41-21-13-33-81(92)86-62-71(56-60-95(86)104)106(99-44-23-15-27-74(99)67-25-6-5-7-26-67)73-54-58-83-77-29-9-17-37-88(77)102(3,4)98(83)64-73/h5-64H,1-4H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-4'-[4-[4-[(9,9-dimethylfluoren-2-yl)-(9,9'-spirobi[fluorene]-3-yl)amino]phenyl]phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine?
N-(9,9-dimethylfluoren-2-yl)-4'-[4-[4-[(9,9-dimethylfluoren-2-yl)-(9,9'-spirobi[fluorene]-3-yl)amino]phenyl]phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine has a molecular weight of 1349.73 g/mol, XLogP of 26.93, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-4'-[4-[4-[(9,9-dimethylfluoren-2-yl)-(9,9'-spirobi[fluorene]-3-yl)amino]phenyl]phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine is sourced from PubChem (CID 138643316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).