N-(9-methyl-9-phenylfluoren-2-yl)-6-[3-[2-[2-(N-(9-methyl-9-phenylfluoren-2-yl)-4-phenanthren-1-ylanilino)phenyl]phenyl]-4-phenylphenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-1-amine

C122H84N2 — CID 170115716

IUPACN-(9-methyl-9-phenylfluoren-2-yl)-6-[3-[2-[2-(N-(9-methyl-9-phenylfluoren-2-yl)-4-phenanthren-1-ylanilino)phenyl]phenyl]-4-phenylphenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-1-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4ccc4ccccc45)cc3)c3ccccc3-c3ccccc3-c3cc(-c4ccc5ccc6c(N(c7ccc8c(c7)C(C)(c7ccccc7)c7ccccc7-8)c7ccccc7-c7ccccc7-c7ccccc7-c7ccccc7)cccc6c5c4)ccc3-c3ccccc3)cc21
InChIInChI=1S/C122H84N2/c1-121(88-38-11-5-12-39-88)114-56-27-23-49-105(114)107-75-70-91(79-116(107)121)123(90-68-63-84(64-69-90)95-53-31-54-98-94-42-16-15-37-83(94)65-73-104(95)98)118-58-29-25-51-109(118)101-47-21-22-48-102(101)113-78-87(67-72-96(113)82-35-9-4-10-36-82)86-62-61-85-66-74-111-103(112(85)77-86)55-32-60-120(111)124(92-71-76-108-106-50-24-28-57-115(106)122(2,117(108)80-92)89-40-13-6-14-41-89)119-59-30-26-52-110(119)100-46-20-19-45-99(100)97-44-18-17-43-93(97)81-33-7-3-8-34-81/h3-80H,1-2H3
InChIKeyGXGLKDNHBFTIES-UHFFFAOYSA-N
MW1578.03 g/mol
LogP33.24
Rot. Bonds16

About N-(9-methyl-9-phenylfluoren-2-yl)-6-[3-[2-[2-(N-(9-methyl-9-phenylfluoren-2-yl)-4-phenanthren-1-ylanilino)phenyl]phenyl]-4-phenylphenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-1-amine

N-(9-methyl-9-phenylfluoren-2-yl)-6-[3-[2-[2-(N-(9-methyl-9-phenylfluoren-2-yl)-4-phenanthren-1-ylanilino)phenyl]phenyl]-4-phenylphenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-1-amine (PubChem CID 170115716) has the molecular formula C122H84N2 and a molecular weight of 1578.03 g/mol. Its IUPAC name is N-(9-methyl-9-phenylfluoren-2-yl)-6-[3-[2-[2-(N-(9-methyl-9-phenylfluoren-2-yl)-4-phenanthren-1-ylanilino)phenyl]phenyl]-4-phenylphenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-1-amine.

Molecular Properties

Compound NameN-(9-methyl-9-phenylfluoren-2-yl)-6-[3-[2-[2-(N-(9-methyl-9-phenylfluoren-2-yl)-4-phenanthren-1-ylanilino)phenyl]phenyl]-4-phenylphenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-1-amine
PubChem CID170115716
Molecular FormulaC122H84N2
Molecular Weight1578.03 g/mol
Exact Mass1576.66
IUPAC NameN-(9-methyl-9-phenylfluoren-2-yl)-6-[3-[2-[2-(N-(9-methyl-9-phenylfluoren-2-yl)-4-phenanthren-1-ylanilino)phenyl]phenyl]-4-phenylphenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-1-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4ccc4ccccc45)cc3)c3ccccc3-c3ccccc3-c3cc(-c4ccc5ccc6c(N(c7ccc8c(c7)C(C)(c7ccccc7)c7ccccc7-8)c7ccccc7-c7ccccc7-c7ccccc7-c7ccccc7)cccc6c5c4)ccc3-c3ccccc3)cc21
InChIInChI=1S/C122H84N2/c1-121(88-38-11-5-12-39-88)114-56-27-23-49-105(114)107-75-70-91(79-116(107)121)123(90-68-63-84(64-69-90)95-53-31-54-98-94-42-16-15-37-83(94)65-73-104(95)98)118-58-29-25-51-109(118)101-47-21-22-48-102(101)113-78-87(67-72-96(113)82-35-9-4-10-36-82)86-62-61-85-66-74-111-103(112(85)77-86)55-32-60-120(111)124(92-71-76-108-106-50-24-28-57-115(106)122(2,117(108)80-92)89-40-13-6-14-41-89)119-59-30-26-52-110(119)100-46-20-19-45-99(100)97-44-18-17-43-93(97)81-33-7-3-8-34-81/h3-80H,1-2H3
InChIKeyGXGLKDNHBFTIES-UHFFFAOYSA-N
XLogP33.24
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms124
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001578.03
LogP ≤ 533.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-(9-methyl-9-phenylfluoren-2-yl)-6-[3-[2-[2-(N-(9-methyl-9-phenylfluoren-2-yl)-4-phenanthren-1-ylanilino)phenyl]phenyl]-4-phenylphenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-1-amine with MolForge

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Related Compounds

9-methyl-N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170303515
9-methyl-N-(3-naphthalen-1-ylphenyl)-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170115713
N-(9-methyl-9-phenylfluoren-2-yl)-N-phenanthren-1-yl-9,10-diphenylphenanthren-2-amine
CID 169062329
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-2-phenanthren-1-ylaniline
CID 170215646
N-(9-methyl-9-phenylfluoren-2-yl)-N-(4-phenanthren-1-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169062955
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9-methyl-N-naphthalen-1-yl-9-phenylfluoren-2-amine
CID 170217449
2-(9-methyl-9-phenylfluoren-2-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)aniline
CID 171453726
N-(9-methyl-9-phenylfluoren-1-yl)-N-(4-phenanthren-1-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169061823
2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-(3-phenanthren-1-ylphenyl)aniline
CID 170303557
N-[2-(4-chrysen-3-yl-2-phenylphenyl)phenyl]-N-phenylphenanthren-3-amine
CID 170141651
N-(9-methyl-9-phenylfluoren-2-yl)-N-naphthalen-1-yl-9,10-diphenylphenanthren-2-amine
CID 169064957
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-N-naphthalen-2-yl-9-phenylfluoren-2-amine
CID 169064811

Frequently Asked Questions

What is the IUPAC name of N-(9-methyl-9-phenylfluoren-2-yl)-6-[3-[2-[2-(N-(9-methyl-9-phenylfluoren-2-yl)-4-phenanthren-1-ylanilino)phenyl]phenyl]-4-phenylphenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-1-amine?
The IUPAC name of N-(9-methyl-9-phenylfluoren-2-yl)-6-[3-[2-[2-(N-(9-methyl-9-phenylfluoren-2-yl)-4-phenanthren-1-ylanilino)phenyl]phenyl]-4-phenylphenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-1-amine (CID 170115716) is N-(9-methyl-9-phenylfluoren-2-yl)-6-[3-[2-[2-(N-(9-methyl-9-phenylfluoren-2-yl)-4-phenanthren-1-ylanilino)phenyl]phenyl]-4-phenylphenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-1-amine.
What is the SMILES notation for N-(9-methyl-9-phenylfluoren-2-yl)-6-[3-[2-[2-(N-(9-methyl-9-phenylfluoren-2-yl)-4-phenanthren-1-ylanilino)phenyl]phenyl]-4-phenylphenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-1-amine?
The canonical SMILES for N-(9-methyl-9-phenylfluoren-2-yl)-6-[3-[2-[2-(N-(9-methyl-9-phenylfluoren-2-yl)-4-phenanthren-1-ylanilino)phenyl]phenyl]-4-phenylphenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-1-amine is CC1(c2ccccc2)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4ccc4ccccc45)cc3)c3ccccc3-c3ccccc3-c3cc(-c4ccc5ccc6c(N(c7ccc8c(c7)C(C)(c7ccccc7)c7ccccc7-8)c7ccccc7-c7ccccc7-c7ccccc7-c7ccccc7)cccc6c5c4)ccc3-c3ccccc3)cc21.
What is the InChIKey of N-(9-methyl-9-phenylfluoren-2-yl)-6-[3-[2-[2-(N-(9-methyl-9-phenylfluoren-2-yl)-4-phenanthren-1-ylanilino)phenyl]phenyl]-4-phenylphenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-1-amine?
The InChIKey is GXGLKDNHBFTIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C122H84N2/c1-121(88-38-11-5-12-39-88)114-56-27-23-49-105(114)107-75-70-91(79-116(107)121)123(90-68-63-84(64-69-90)95-53-31-54-98-94-42-16-15-37-83(94)65-73-104(95)98)118-58-29-25-51-109(118)101-47-21-22-48-102(101)113-78-87(67-72-96(113)82-35-9-4-10-36-82)86-62-61-85-66-74-111-103(112(85)77-86)55-32-60-120(111)124(92-71-76-108-106-50-24-28-57-115(106)122(2,117(108)80-92)89-40-13-6-14-41-89)119-59-30-26-52-110(119)100-46-20-19-45-99(100)97-44-18-17-43-93(97)81-33-7-3-8-34-81/h3-80H,1-2H3.
What are the key properties of N-(9-methyl-9-phenylfluoren-2-yl)-6-[3-[2-[2-(N-(9-methyl-9-phenylfluoren-2-yl)-4-phenanthren-1-ylanilino)phenyl]phenyl]-4-phenylphenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-1-amine?
N-(9-methyl-9-phenylfluoren-2-yl)-6-[3-[2-[2-(N-(9-methyl-9-phenylfluoren-2-yl)-4-phenanthren-1-ylanilino)phenyl]phenyl]-4-phenylphenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-1-amine has a molecular weight of 1578.03 g/mol, XLogP of 33.24, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-methyl-9-phenylfluoren-2-yl)-6-[3-[2-[2-(N-(9-methyl-9-phenylfluoren-2-yl)-4-phenanthren-1-ylanilino)phenyl]phenyl]-4-phenylphenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-1-amine is sourced from PubChem (CID 170115716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).