N-[4-[4-[bis(7-methyl-9,9-diphenylfluoren-2-yl)amino]-2-methylphenyl]phenyl]-N-(9,9-dimethylfluoren-1-yl)-9,9'-spirobi[fluorene]-4-amine

C105H76N2 — CID 177287745

IUPACN-[4-[4-[bis(7-methyl-9,9-diphenylfluoren-2-yl)amino]-2-methylphenyl]phenyl]-N-(9,9-dimethylfluoren-1-yl)-9,9'-spirobi[fluorene]-4-amine
SMILESCc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(N(c3ccc(-c4ccc(N(c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)c5cccc6c5C(C)(C)c5ccccc5-6)cc4)c(C)c3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(C)ccc3-4)ccc1-2
InChIInChI=1S/C105H76N2/c1-67-48-57-83-85-60-55-77(65-96(85)103(94(83)62-67,71-28-10-6-11-29-71)72-30-12-7-13-31-72)106(78-56-61-86-84-58-49-68(2)63-95(84)104(97(86)66-78,73-32-14-8-15-33-73)74-34-16-9-17-35-74)76-54-59-79(69(3)64-76)70-50-52-75(53-51-70)107(99-47-26-40-87-82-38-18-22-41-89(82)102(4,5)101(87)99)98-46-27-45-93-100(98)88-39-21-25-44-92(88)105(93)90-42-23-19-36-80(90)81-37-20-24-43-91(81)105/h6-66H,1-5H3
InChIKeyLQYCIWQZTNONCY-UHFFFAOYSA-N
MW1365.78 g/mol
LogP26.59
Rot. Bonds11

About N-[4-[4-[bis(7-methyl-9,9-diphenylfluoren-2-yl)amino]-2-methylphenyl]phenyl]-N-(9,9-dimethylfluoren-1-yl)-9,9'-spirobi[fluorene]-4-amine

N-[4-[4-[bis(7-methyl-9,9-diphenylfluoren-2-yl)amino]-2-methylphenyl]phenyl]-N-(9,9-dimethylfluoren-1-yl)-9,9'-spirobi[fluorene]-4-amine (PubChem CID 177287745) has the molecular formula C105H76N2 and a molecular weight of 1365.78 g/mol. Its IUPAC name is N-[4-[4-[bis(7-methyl-9,9-diphenylfluoren-2-yl)amino]-2-methylphenyl]phenyl]-N-(9,9-dimethylfluoren-1-yl)-9,9'-spirobi[fluorene]-4-amine.

Molecular Properties

Compound NameN-[4-[4-[bis(7-methyl-9,9-diphenylfluoren-2-yl)amino]-2-methylphenyl]phenyl]-N-(9,9-dimethylfluoren-1-yl)-9,9'-spirobi[fluorene]-4-amine
PubChem CID177287745
Molecular FormulaC105H76N2
Molecular Weight1365.78 g/mol
Exact Mass1364.60
IUPAC NameN-[4-[4-[bis(7-methyl-9,9-diphenylfluoren-2-yl)amino]-2-methylphenyl]phenyl]-N-(9,9-dimethylfluoren-1-yl)-9,9'-spirobi[fluorene]-4-amine
SMILESCc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(N(c3ccc(-c4ccc(N(c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)c5cccc6c5C(C)(C)c5ccccc5-6)cc4)c(C)c3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(C)ccc3-4)ccc1-2
InChIInChI=1S/C105H76N2/c1-67-48-57-83-85-60-55-77(65-96(85)103(94(83)62-67,71-28-10-6-11-29-71)72-30-12-7-13-31-72)106(78-56-61-86-84-58-49-68(2)63-95(84)104(97(86)66-78,73-32-14-8-15-33-73)74-34-16-9-17-35-74)76-54-59-79(69(3)64-76)70-50-52-75(53-51-70)107(99-47-26-40-87-82-38-18-22-41-89(82)102(4,5)101(87)99)98-46-27-45-93-100(98)88-39-21-25-44-92(88)105(93)90-42-23-19-36-80(90)81-37-20-24-43-91(81)105/h6-66H,1-5H3
InChIKeyLQYCIWQZTNONCY-UHFFFAOYSA-N
XLogP26.59
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms107
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001365.78
LogP ≤ 526.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[4-[4-[bis(7-methyl-9,9-diphenylfluoren-2-yl)amino]-2-methylphenyl]phenyl]-N-(9,9-dimethylfluoren-1-yl)-9,9'-spirobi[fluorene]-4-amine with MolForge

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Related Compounds

N-[4-[4-[bis(7-methyl-9,9-diphenylfluoren-2-yl)amino]-2-methylphenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 177287726
N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine
CID 121285751
9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-1-amine;N-[4-(3,5-diphenylphenyl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine
CID 167649293
N-[4-[4-[bis(7-methyl-9,9-diphenylfluoren-2-yl)amino]phenyl]phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine
CID 177287521
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-amine
CID 142480849
N-(9,9-dimethylfluoren-4-yl)-9,9-diphenyl-N-(2-phenylphenyl)fluoren-2-amine
CID 121285745
N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 126548400
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 135193177
N-[4-[4-[bis(7,9,9-trimethylfluoren-2-yl)amino]-2-methylphenyl]phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-3-amine
CID 177287705
N-[4-[4-[bis(7,9,9-trimethylfluoren-2-yl)amino]-2-methylphenyl]phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-2-amine
CID 177287638
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-(9,9-dimethylfluoren-2-yl)-2',7'-dimethyl-5-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 154588670

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[bis(7-methyl-9,9-diphenylfluoren-2-yl)amino]-2-methylphenyl]phenyl]-N-(9,9-dimethylfluoren-1-yl)-9,9'-spirobi[fluorene]-4-amine?
The IUPAC name of N-[4-[4-[bis(7-methyl-9,9-diphenylfluoren-2-yl)amino]-2-methylphenyl]phenyl]-N-(9,9-dimethylfluoren-1-yl)-9,9'-spirobi[fluorene]-4-amine (CID 177287745) is N-[4-[4-[bis(7-methyl-9,9-diphenylfluoren-2-yl)amino]-2-methylphenyl]phenyl]-N-(9,9-dimethylfluoren-1-yl)-9,9'-spirobi[fluorene]-4-amine.
What is the SMILES notation for N-[4-[4-[bis(7-methyl-9,9-diphenylfluoren-2-yl)amino]-2-methylphenyl]phenyl]-N-(9,9-dimethylfluoren-1-yl)-9,9'-spirobi[fluorene]-4-amine?
The canonical SMILES for N-[4-[4-[bis(7-methyl-9,9-diphenylfluoren-2-yl)amino]-2-methylphenyl]phenyl]-N-(9,9-dimethylfluoren-1-yl)-9,9'-spirobi[fluorene]-4-amine is Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(N(c3ccc(-c4ccc(N(c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)c5cccc6c5C(C)(C)c5ccccc5-6)cc4)c(C)c3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(C)ccc3-4)ccc1-2.
What is the InChIKey of N-[4-[4-[bis(7-methyl-9,9-diphenylfluoren-2-yl)amino]-2-methylphenyl]phenyl]-N-(9,9-dimethylfluoren-1-yl)-9,9'-spirobi[fluorene]-4-amine?
The InChIKey is LQYCIWQZTNONCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C105H76N2/c1-67-48-57-83-85-60-55-77(65-96(85)103(94(83)62-67,71-28-10-6-11-29-71)72-30-12-7-13-31-72)106(78-56-61-86-84-58-49-68(2)63-95(84)104(97(86)66-78,73-32-14-8-15-33-73)74-34-16-9-17-35-74)76-54-59-79(69(3)64-76)70-50-52-75(53-51-70)107(99-47-26-40-87-82-38-18-22-41-89(82)102(4,5)101(87)99)98-46-27-45-93-100(98)88-39-21-25-44-92(88)105(93)90-42-23-19-36-80(90)81-37-20-24-43-91(81)105/h6-66H,1-5H3.
What are the key properties of N-[4-[4-[bis(7-methyl-9,9-diphenylfluoren-2-yl)amino]-2-methylphenyl]phenyl]-N-(9,9-dimethylfluoren-1-yl)-9,9'-spirobi[fluorene]-4-amine?
N-[4-[4-[bis(7-methyl-9,9-diphenylfluoren-2-yl)amino]-2-methylphenyl]phenyl]-N-(9,9-dimethylfluoren-1-yl)-9,9'-spirobi[fluorene]-4-amine has a molecular weight of 1365.78 g/mol, XLogP of 26.59, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[bis(7-methyl-9,9-diphenylfluoren-2-yl)amino]-2-methylphenyl]phenyl]-N-(9,9-dimethylfluoren-1-yl)-9,9'-spirobi[fluorene]-4-amine is sourced from PubChem (CID 177287745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).