N-[4-[9-[4-[[4-[5-[4-[N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)anilino]phenyl]hexan-3-yl]phenyl]methoxy]phenyl]-7-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]-9-phenylfluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

C124H101N3O — CID 154608860

About N-[4-[9-[4-[[4-[5-[4-[N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)anilino]phenyl]hexan-3-yl]phenyl]methoxy]phenyl]-7-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]-9-phenylfluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

N-[4-[9-[4-[[4-[5-[4-[N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)anilino]phenyl]hexan-3-yl]phenyl]methoxy]phenyl]-7-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]-9-phenylfluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 154608860) has the molecular formula C124H101N3O and a molecular weight of 1649.19 g/mol. Its IUPAC name is N-[4-[9-[4-[[4-[5-[4-[N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)anilino]phenyl]hexan-3-yl]phenyl]methoxy]phenyl]-7-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]-9-phenylfluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: N-[4-[9-[4-[[4-[5-[4-[N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)anilino]phenyl]hexan-3-yl]phenyl]methoxy]phenyl]-7-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]-9-phenylfluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
• PubChem CID: 154608860
• Molecular Formula: C124H101N3O
• Molecular Weight: 1649.19 g/mol
• Exact Mass: 1647.79
• IUPAC Name: N-[4-[9-[4-[[4-[5-[4-[N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)anilino]phenyl]hexan-3-yl]phenyl]methoxy]phenyl]-7-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]-9-phenylfluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
• SMILES: CCC(CC(C)c1ccc(N(c2ccccc2)c2ccc3c(c2)CC3)cc1)c1ccc(COc2ccc(C3(c4ccccc4)c4cc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc7c(c6)C(C)(C)c6ccccc6-7)cc5)ccc4-c4ccc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc7c(c6)C(C)(C)c6ccccc6-7)cc5)cc43)cc2)cc1
• InChI: InChI=1S/C124H101N3O/c1-7-85(76-83(2)86-42-57-101(58-43-86)125(100-30-18-11-19-31-100)106-67-52-92-40-41-95(92)77-106)89-38-36-84(37-39-89)82-128-109-70-55-99(56-71-109)124(98-28-16-10-17-29-98)120-78-96(93-48-63-104(64-49-93)126(102-59-44-90(45-60-102)87-24-12-8-13-25-87)107-68-74-112-110-32-20-22-34-116(110)122(3,4)118(112)80-107)53-72-114(120)115-73-54-97(79-121(115)124)94-50-65-105(66-51-94)127(103-61-46-91(47-62-103)88-26-14-9-15-27-88)108-69-75-113-111-33-21-23-35-117(111)123(5,6)119(113)81-108/h8-39,42-75,77-81,83,85H,7,40-41,76,82H2,1-6H3
• InChIKey: CZBQULBMKRCIFC-UHFFFAOYSA-N
• XLogP: 33.10
• TPSA: 18.95 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 23
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1649.19
LogP ≤ 5	33.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[4-[9-[4-[[4-[5-[4-[N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)anilino]phenyl]hexan-3-yl]phenyl]methoxy]phenyl]-7-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]-9-phenylfluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?

The IUPAC name of N-[4-[9-[4-[[4-[5-[4-[N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)anilino]phenyl]hexan-3-yl]phenyl]methoxy]phenyl]-7-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]-9-phenylfluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (CID 154608860) is N-[4-[9-[4-[[4-[5-[4-[N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)anilino]phenyl]hexan-3-yl]phenyl]methoxy]phenyl]-7-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]-9-phenylfluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.

What is the SMILES notation for N-[4-[9-[4-[[4-[5-[4-[N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)anilino]phenyl]hexan-3-yl]phenyl]methoxy]phenyl]-7-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]-9-phenylfluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?

The canonical SMILES for N-[4-[9-[4-[[4-[5-[4-[N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)anilino]phenyl]hexan-3-yl]phenyl]methoxy]phenyl]-7-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]-9-phenylfluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is CCC(CC(C)c1ccc(N(c2ccccc2)c2ccc3c(c2)CC3)cc1)c1ccc(COc2ccc(C3(c4ccccc4)c4cc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc7c(c6)C(C)(C)c6ccccc6-7)cc5)ccc4-c4ccc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc7c(c6)C(C)(C)c6ccccc6-7)cc5)cc43)cc2)cc1.

What is the InChIKey of N-[4-[9-[4-[[4-[5-[4-[N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)anilino]phenyl]hexan-3-yl]phenyl]methoxy]phenyl]-7-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]-9-phenylfluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?

The InChIKey is CZBQULBMKRCIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C124H101N3O/c1-7-85(76-83(2)86-42-57-101(58-43-86)125(100-30-18-11-19-31-100)106-67-52-92-40-41-95(92)77-106)89-38-36-84(37-39-89)82-128-109-70-55-99(56-71-109)124(98-28-16-10-17-29-98)120-78-96(93-48-63-104(64-49-93)126(102-59-44-90(45-60-102)87-24-12-8-13-25-87)107-68-74-112-110-32-20-22-34-116(110)122(3,4)118(112)80-107)53-72-114(120)115-73-54-97(79-121(115)124)94-50-65-105(66-51-94)127(103-61-46-91(47-62-103)88-26-14-9-15-27-88)108-69-75-113-111-33-21-23-35-117(111)123(5,6)119(113)81-108/h8-39,42-75,77-81,83,85H,7,40-41,76,82H2,1-6H3.

What are the key properties of N-[4-[9-[4-[[4-[5-[4-[N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)anilino]phenyl]hexan-3-yl]phenyl]methoxy]phenyl]-7-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]-9-phenylfluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?

N-[4-[9-[4-[[4-[5-[4-[N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)anilino]phenyl]hexan-3-yl]phenyl]methoxy]phenyl]-7-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]-9-phenylfluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 1649.19 g/mol, XLogP of 33.10, 23 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[9-[4-[[4-[5-[4-[N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)anilino]phenyl]hexan-3-yl]phenyl]methoxy]phenyl]-7-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]-9-phenylfluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 154608860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).