N-(9,9-diphenylfluoren-2-yl)-6,6-dimethyl-N-(4-phenylphenyl)-12,12-di(propan-2-yl)indeno[1,2-b]fluoren-3-amine

C65H55N — CID 155095564

IUPACN-(9,9-diphenylfluoren-2-yl)-6,6-dimethyl-N-(4-phenylphenyl)-12,12-di(propan-2-yl)indeno[1,2-b]fluoren-3-amine
SMILESCC(C)C1(C(C)C)c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc2-c2cc3c(cc21)-c1ccccc1C3(C)C
InChIInChI=1S/C65H55N/c1-42(2)64(43(3)4)59-37-35-49(38-54(59)56-40-60-55(41-62(56)64)52-27-16-18-28-57(52)63(60,5)6)66(48-32-30-45(31-33-48)44-20-10-7-11-21-44)50-34-36-53-51-26-17-19-29-58(51)65(61(53)39-50,46-22-12-8-13-23-46)47-24-14-9-15-25-47/h7-43H,1-6H3
InChIKeyIVRUPGYZAGRPAR-UHFFFAOYSA-N
MW850.16 g/mol
LogP17.07
Rot. Bonds8

About N-(9,9-diphenylfluoren-2-yl)-6,6-dimethyl-N-(4-phenylphenyl)-12,12-di(propan-2-yl)indeno[1,2-b]fluoren-3-amine

N-(9,9-diphenylfluoren-2-yl)-6,6-dimethyl-N-(4-phenylphenyl)-12,12-di(propan-2-yl)indeno[1,2-b]fluoren-3-amine (PubChem CID 155095564) has the molecular formula C65H55N and a molecular weight of 850.16 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-6,6-dimethyl-N-(4-phenylphenyl)-12,12-di(propan-2-yl)indeno[1,2-b]fluoren-3-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-2-yl)-6,6-dimethyl-N-(4-phenylphenyl)-12,12-di(propan-2-yl)indeno[1,2-b]fluoren-3-amine
PubChem CID155095564
Molecular FormulaC65H55N
Molecular Weight850.16 g/mol
Exact Mass849.43
IUPAC NameN-(9,9-diphenylfluoren-2-yl)-6,6-dimethyl-N-(4-phenylphenyl)-12,12-di(propan-2-yl)indeno[1,2-b]fluoren-3-amine
SMILESCC(C)C1(C(C)C)c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc2-c2cc3c(cc21)-c1ccccc1C3(C)C
InChIInChI=1S/C65H55N/c1-42(2)64(43(3)4)59-37-35-49(38-54(59)56-40-60-55(41-62(56)64)52-27-16-18-28-57(52)63(60,5)6)66(48-32-30-45(31-33-48)44-20-10-7-11-21-44)50-34-36-53-51-26-17-19-29-58(51)65(61(53)39-50,46-22-12-8-13-23-46)47-24-14-9-15-25-47/h7-43H,1-6H3
InChIKeyIVRUPGYZAGRPAR-UHFFFAOYSA-N
XLogP17.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500850.16
LogP ≤ 517.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 126548554
9,9-dimethyl-N-(4-phenylphenyl)-N-[9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]fluoren-2-amine
CID 163787902
N-(3,4-diphenylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine;N-(3,4-diphenylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 160568541
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118298338
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-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 142481064
3-[4-[4-[N,4-bis(9,9-dimethylfluoren-2-yl)anilino]phenyl]phenyl]-N-[6-[7-[(9,9-diphenylfluoren-2-yl)-(9,9'-spirobi[fluorene]-2-yl)amino]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 139519919
N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2-amine
CID 167176324
N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-amine
CID 118298327
N-[4-[9-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]fluoren-9-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 90274459
N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 134487972
N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine
CID 159624987

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-2-yl)-6,6-dimethyl-N-(4-phenylphenyl)-12,12-di(propan-2-yl)indeno[1,2-b]fluoren-3-amine?
The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-6,6-dimethyl-N-(4-phenylphenyl)-12,12-di(propan-2-yl)indeno[1,2-b]fluoren-3-amine (CID 155095564) is N-(9,9-diphenylfluoren-2-yl)-6,6-dimethyl-N-(4-phenylphenyl)-12,12-di(propan-2-yl)indeno[1,2-b]fluoren-3-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-6,6-dimethyl-N-(4-phenylphenyl)-12,12-di(propan-2-yl)indeno[1,2-b]fluoren-3-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-6,6-dimethyl-N-(4-phenylphenyl)-12,12-di(propan-2-yl)indeno[1,2-b]fluoren-3-amine is CC(C)C1(C(C)C)c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc2-c2cc3c(cc21)-c1ccccc1C3(C)C.
What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-6,6-dimethyl-N-(4-phenylphenyl)-12,12-di(propan-2-yl)indeno[1,2-b]fluoren-3-amine?
The InChIKey is IVRUPGYZAGRPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H55N/c1-42(2)64(43(3)4)59-37-35-49(38-54(59)56-40-60-55(41-62(56)64)52-27-16-18-28-57(52)63(60,5)6)66(48-32-30-45(31-33-48)44-20-10-7-11-21-44)50-34-36-53-51-26-17-19-29-58(51)65(61(53)39-50,46-22-12-8-13-23-46)47-24-14-9-15-25-47/h7-43H,1-6H3.
What are the key properties of N-(9,9-diphenylfluoren-2-yl)-6,6-dimethyl-N-(4-phenylphenyl)-12,12-di(propan-2-yl)indeno[1,2-b]fluoren-3-amine?
N-(9,9-diphenylfluoren-2-yl)-6,6-dimethyl-N-(4-phenylphenyl)-12,12-di(propan-2-yl)indeno[1,2-b]fluoren-3-amine has a molecular weight of 850.16 g/mol, XLogP of 17.07, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-2-yl)-6,6-dimethyl-N-(4-phenylphenyl)-12,12-di(propan-2-yl)indeno[1,2-b]fluoren-3-amine is sourced from PubChem (CID 155095564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).