N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-N-[4-[4-(N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]anilino)phenyl]phenyl]-7,9,9-trimethylfluoren-2-amine

C62H50N2 — CID 118065696

IUPACN-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-N-[4-[4-(N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]anilino)phenyl]phenyl]-7,9,9-trimethylfluoren-2-amine
SMILESCc1ccc2c(c1)C(C)(C)c1cc(N(c3ccc(-c4ccc(N(c5ccccc5)c5cccc(-c6ccc7c(c6)CC7)c5)cc4)cc3)c3cccc(-c4ccc5c(c4)CC5)c3)ccc1-2
InChIInChI=1S/C62H50N2/c1-41-15-33-58-59-34-32-57(40-61(59)62(2,3)60(58)35-41)64(56-14-8-10-47(39-56)51-23-19-45-17-21-49(45)37-51)54-30-26-43(27-31-54)42-24-28-53(29-25-42)63(52-11-5-4-6-12-52)55-13-7-9-46(38-55)50-22-18-44-16-20-48(44)36-50/h4-15,18-19,22-40H,16-17,20-21H2,1-3H3
InChIKeyURFBPLVVLABLKI-UHFFFAOYSA-N
MW823.10 g/mol
LogP16.44
Rot. Bonds9

About N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-N-[4-[4-(N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]anilino)phenyl]phenyl]-7,9,9-trimethylfluoren-2-amine

N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-N-[4-[4-(N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]anilino)phenyl]phenyl]-7,9,9-trimethylfluoren-2-amine (PubChem CID 118065696) has the molecular formula C62H50N2 and a molecular weight of 823.10 g/mol. Its IUPAC name is N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-N-[4-[4-(N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]anilino)phenyl]phenyl]-7,9,9-trimethylfluoren-2-amine.

Molecular Properties

Compound NameN-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-N-[4-[4-(N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]anilino)phenyl]phenyl]-7,9,9-trimethylfluoren-2-amine
PubChem CID118065696
Molecular FormulaC62H50N2
Molecular Weight823.10 g/mol
Exact Mass822.40
IUPAC NameN-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-N-[4-[4-(N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]anilino)phenyl]phenyl]-7,9,9-trimethylfluoren-2-amine
SMILESCc1ccc2c(c1)C(C)(C)c1cc(N(c3ccc(-c4ccc(N(c5ccccc5)c5cccc(-c6ccc7c(c6)CC7)c5)cc4)cc3)c3cccc(-c4ccc5c(c4)CC5)c3)ccc1-2
InChIInChI=1S/C62H50N2/c1-41-15-33-58-59-34-32-57(40-61(59)62(2,3)60(58)35-41)64(56-14-8-10-47(39-56)51-23-19-45-17-21-49(45)37-51)54-30-26-43(27-31-54)42-24-28-53(29-25-42)63(52-11-5-4-6-12-52)55-13-7-9-46(38-55)50-22-18-44-16-20-48(44)36-50/h4-15,18-19,22-40H,16-17,20-21H2,1-3H3
InChIKeyURFBPLVVLABLKI-UHFFFAOYSA-N
XLogP16.44
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500823.10
LogP ≤ 516.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-N-[4-[4-(N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]anilino)phenyl]phenyl]-7,9,9-trimethylfluoren-2-amine with MolForge

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Related Compounds

2-N-[7-(N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]anilino)-9,9-dimethylfluoren-2-yl]-2-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-N,7-N-diphenylfluorene-2,7-diamine
CID 118065693
3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-[4-[3-[3-(4-methylphenyl)phenyl]phenyl]phenyl]-N-phenylaniline
CID 71009597
9,9-dimethyl-N-(3-methylphenyl)-7-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118428426
9,9-dimethyl-7-phenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 131994094
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(3-methylphenyl)-7-(4-phenylphenyl)fluoren-2-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-methylphenyl)-7-(4-phenylphenyl)fluoren-2-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-phenyl-7-(4-phenylphenyl)fluoren-2-amine
CID 162180969
N-[4-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 169230595
N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-6,6,12,12-tetrahexyl-8-methyl-N-phenylindeno[1,2-b]fluoren-2-amine
CID 71009487
N-[4-[9,9-dimethyl-7-[4-(4-methyl-N-[4-(3-phenylphenyl)phenyl]anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 58939361
9,9-dimethyl-N-(4-methylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 118146352
9,9-dimethyl-7-(4-phenylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118428445
4-N-[4-[4-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-methylanilino]phenyl]phenyl]-1-N-[4-(4-methylphenyl)phenyl]-1-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 58250924
11,11,12,12-tetramethyl-2-N,9-N,9-N-triphenyl-2-N-[3-[4-(N-[6,6,12,12-tetramethyl-8-(N-phenylanilino)indeno[1,2-b]fluoren-2-yl]anilino)phenyl]phenyl]indeno[2,1-a]fluorene-2,9-diamine
CID 134269456

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-N-[4-[4-(N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]anilino)phenyl]phenyl]-7,9,9-trimethylfluoren-2-amine?
The IUPAC name of N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-N-[4-[4-(N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]anilino)phenyl]phenyl]-7,9,9-trimethylfluoren-2-amine (CID 118065696) is N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-N-[4-[4-(N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]anilino)phenyl]phenyl]-7,9,9-trimethylfluoren-2-amine.
What is the SMILES notation for N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-N-[4-[4-(N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]anilino)phenyl]phenyl]-7,9,9-trimethylfluoren-2-amine?
The canonical SMILES for N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-N-[4-[4-(N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]anilino)phenyl]phenyl]-7,9,9-trimethylfluoren-2-amine is Cc1ccc2c(c1)C(C)(C)c1cc(N(c3ccc(-c4ccc(N(c5ccccc5)c5cccc(-c6ccc7c(c6)CC7)c5)cc4)cc3)c3cccc(-c4ccc5c(c4)CC5)c3)ccc1-2.
What is the InChIKey of N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-N-[4-[4-(N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]anilino)phenyl]phenyl]-7,9,9-trimethylfluoren-2-amine?
The InChIKey is URFBPLVVLABLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H50N2/c1-41-15-33-58-59-34-32-57(40-61(59)62(2,3)60(58)35-41)64(56-14-8-10-47(39-56)51-23-19-45-17-21-49(45)37-51)54-30-26-43(27-31-54)42-24-28-53(29-25-42)63(52-11-5-4-6-12-52)55-13-7-9-46(38-55)50-22-18-44-16-20-48(44)36-50/h4-15,18-19,22-40H,16-17,20-21H2,1-3H3.
What are the key properties of N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-N-[4-[4-(N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]anilino)phenyl]phenyl]-7,9,9-trimethylfluoren-2-amine?
N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-N-[4-[4-(N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]anilino)phenyl]phenyl]-7,9,9-trimethylfluoren-2-amine has a molecular weight of 823.10 g/mol, XLogP of 16.44, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-N-[4-[4-(N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]anilino)phenyl]phenyl]-7,9,9-trimethylfluoren-2-amine is sourced from PubChem (CID 118065696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).