N-[3-[1,2-bis(ethenyl)-3,3,9,9-tetramethylcyclopenta[b]fluoren-5-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

C57H49N — CID 142540840

IUPACN-[3-[1,2-bis(ethenyl)-3,3,9,9-tetramethylcyclopenta[b]fluoren-5-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESC=CC1=C(C=C)C(C)(C)c2cc3c(cc21)C(C)(C)c1cccc(-c2cccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)c2)c1-3
InChIInChI=1S/C57H49N/c1-9-42-46-34-53-47(35-52(46)55(3,4)48(42)10-2)54-43(23-17-25-50(54)57(53,7)8)38-20-16-21-40(32-38)58(39-28-26-37(27-29-39)36-18-12-11-13-19-36)41-30-31-45-44-22-14-15-24-49(44)56(5,6)51(45)33-41/h9-35H,1-2H2,3-8H3
InChIKeyLSPPLQCDAFTRIW-UHFFFAOYSA-N
MW748.03 g/mol
LogP15.52
Rot. Bonds7

About N-[3-[1,2-bis(ethenyl)-3,3,9,9-tetramethylcyclopenta[b]fluoren-5-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

N-[3-[1,2-bis(ethenyl)-3,3,9,9-tetramethylcyclopenta[b]fluoren-5-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 142540840) has the molecular formula C57H49N and a molecular weight of 748.03 g/mol. Its IUPAC name is N-[3-[1,2-bis(ethenyl)-3,3,9,9-tetramethylcyclopenta[b]fluoren-5-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-[3-[1,2-bis(ethenyl)-3,3,9,9-tetramethylcyclopenta[b]fluoren-5-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
PubChem CID142540840
Molecular FormulaC57H49N
Molecular Weight748.03 g/mol
Exact Mass747.39
IUPAC NameN-[3-[1,2-bis(ethenyl)-3,3,9,9-tetramethylcyclopenta[b]fluoren-5-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESC=CC1=C(C=C)C(C)(C)c2cc3c(cc21)C(C)(C)c1cccc(-c2cccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)c2)c1-3
InChIInChI=1S/C57H49N/c1-9-42-46-34-53-47(35-52(46)55(3,4)48(42)10-2)54-43(23-17-25-50(54)57(53,7)8)38-20-16-21-40(32-38)58(39-28-26-37(27-29-39)36-18-12-11-13-19-36)41-30-31-45-44-22-14-15-24-49(44)56(5,6)51(45)33-41/h9-35H,1-2H2,3-8H3
InChIKeyLSPPLQCDAFTRIW-UHFFFAOYSA-N
XLogP15.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.03
LogP ≤ 515.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[3-[10-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 169284348
6,6,12,12-tetramethyl-N,10-diphenyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine
CID 138455850
N,4-diphenyl-N-[4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl)phenyl]phenyl]aniline
CID 155095533
6,6,12,12-tetramethyl-10-phenyl-N-[4-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine
CID 142541107
N-[4-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 169230595
3-(9,9-dimethylfluoren-4-yl)-N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 154972984
9,9-dimethyl-5-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155153854
3-N-[1,2-bis(ethenyl)-3,3-dimethylinden-5-yl]-5-chloro-1-N,1-N,3-N-tris(9,9-dimethylfluoren-2-yl)benzene-1,3-diamine
CID 139541052
9,9-dimethyl-N,5-diphenyl-N-[3-[3-(4-phenylphenyl)naphthalen-2-yl]phenyl]fluoren-2-amine
CID 170417832
6,6,12,12-tetramethyl-N,N-bis(4-methylphenyl)-10-phenylindeno[1,2-b]fluoren-2-amine
CID 138455846
3-(9,9-dimethyl-5-phenylfluoren-3-yl)-N-phenyl-N-(4-phenylphenyl)aniline
CID 169039754
N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-5-phenylfluoren-3-amine
CID 169039545

Frequently Asked Questions

What is the IUPAC name of N-[3-[1,2-bis(ethenyl)-3,3,9,9-tetramethylcyclopenta[b]fluoren-5-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of N-[3-[1,2-bis(ethenyl)-3,3,9,9-tetramethylcyclopenta[b]fluoren-5-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (CID 142540840) is N-[3-[1,2-bis(ethenyl)-3,3,9,9-tetramethylcyclopenta[b]fluoren-5-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for N-[3-[1,2-bis(ethenyl)-3,3,9,9-tetramethylcyclopenta[b]fluoren-5-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for N-[3-[1,2-bis(ethenyl)-3,3,9,9-tetramethylcyclopenta[b]fluoren-5-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is C=CC1=C(C=C)C(C)(C)c2cc3c(cc21)C(C)(C)c1cccc(-c2cccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)c2)c1-3.
What is the InChIKey of N-[3-[1,2-bis(ethenyl)-3,3,9,9-tetramethylcyclopenta[b]fluoren-5-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is LSPPLQCDAFTRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H49N/c1-9-42-46-34-53-47(35-52(46)55(3,4)48(42)10-2)54-43(23-17-25-50(54)57(53,7)8)38-20-16-21-40(32-38)58(39-28-26-37(27-29-39)36-18-12-11-13-19-36)41-30-31-45-44-22-14-15-24-49(44)56(5,6)51(45)33-41/h9-35H,1-2H2,3-8H3.
What are the key properties of N-[3-[1,2-bis(ethenyl)-3,3,9,9-tetramethylcyclopenta[b]fluoren-5-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
N-[3-[1,2-bis(ethenyl)-3,3,9,9-tetramethylcyclopenta[b]fluoren-5-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 748.03 g/mol, XLogP of 15.52, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1,2-bis(ethenyl)-3,3,9,9-tetramethylcyclopenta[b]fluoren-5-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 142540840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).