4-(9,9-dimethylfluoren-2-yl)-N-[4-(6-pentacyclo[11.7.1.13,7.017,21.011,22]docosa-1(20),3,5,7,9,11(22),13,15,17(21),18-decaenyl)phenyl]-N-phenylaniline

C55H41N — CID 139435613

IUPAC4-(9,9-dimethylfluoren-2-yl)-N-[4-(6-pentacyclo[11.7.1.13,7.017,21.011,22]docosa-1(20),3,5,7,9,11(22),13,15,17(21),18-decaenyl)phenyl]-N-phenylaniline
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc6c7c(cccc57)Cc5cccc7cccc(c57)C6)cc4)cc3)cc21
InChIInChI=1S/C55H41N/c1-55(2)51-20-7-6-18-48(51)49-32-25-39(35-52(49)55)36-21-27-45(28-22-36)56(44-16-4-3-5-17-44)46-29-23-37(24-30-46)47-31-26-43-34-41-14-9-12-38-11-8-13-40(53(38)41)33-42-15-10-19-50(47)54(42)43/h3-32,35H,33-34H2,1-2H3
InChIKeyWHKAJMAKXMPSOB-UHFFFAOYSA-N
MW715.94 g/mol
LogP14.60
Rot. Bonds5

About 4-(9,9-dimethylfluoren-2-yl)-N-[4-(6-pentacyclo[11.7.1.13,7.017,21.011,22]docosa-1(20),3,5,7,9,11(22),13,15,17(21),18-decaenyl)phenyl]-N-phenylaniline

4-(9,9-dimethylfluoren-2-yl)-N-[4-(6-pentacyclo[11.7.1.13,7.017,21.011,22]docosa-1(20),3,5,7,9,11(22),13,15,17(21),18-decaenyl)phenyl]-N-phenylaniline (PubChem CID 139435613) has the molecular formula C55H41N and a molecular weight of 715.94 g/mol. Its IUPAC name is 4-(9,9-dimethylfluoren-2-yl)-N-[4-(6-pentacyclo[11.7.1.13,7.017,21.011,22]docosa-1(20),3,5,7,9,11(22),13,15,17(21),18-decaenyl)phenyl]-N-phenylaniline.

Molecular Properties

Compound Name4-(9,9-dimethylfluoren-2-yl)-N-[4-(6-pentacyclo[11.7.1.13,7.017,21.011,22]docosa-1(20),3,5,7,9,11(22),13,15,17(21),18-decaenyl)phenyl]-N-phenylaniline
PubChem CID139435613
Molecular FormulaC55H41N
Molecular Weight715.94 g/mol
Exact Mass715.32
IUPAC Name4-(9,9-dimethylfluoren-2-yl)-N-[4-(6-pentacyclo[11.7.1.13,7.017,21.011,22]docosa-1(20),3,5,7,9,11(22),13,15,17(21),18-decaenyl)phenyl]-N-phenylaniline
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc6c7c(cccc57)Cc5cccc7cccc(c57)C6)cc4)cc3)cc21
InChIInChI=1S/C55H41N/c1-55(2)51-20-7-6-18-48(51)49-32-25-39(35-52(49)55)36-21-27-45(28-22-36)56(44-16-4-3-5-17-44)46-29-23-37(24-30-46)47-31-26-43-34-41-14-9-12-38-11-8-13-40(53(38)41)33-42-15-10-19-50(47)54(42)43/h3-32,35H,33-34H2,1-2H3
InChIKeyWHKAJMAKXMPSOB-UHFFFAOYSA-N
XLogP14.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.94
LogP ≤ 514.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-(9,9-dimethylfluoren-2-yl)-N-[4-(6-pentacyclo[11.7.1.13,7.017,21.011,22]docosa-1(20),3,5,7,9,11(22),13,15,17(21),18-decaenyl)phenyl]-N-phenylaniline with MolForge

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Related Compounds

N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 58050517
N-[9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)fluoren-2-yl]-9,9-dimethyl-N,7-diphenylfluoren-2-amine
CID 118500337
9,9-dimethyl-2,7-dinaphthalen-2-ylfluorene;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;1,8-diphenylphenanthrene
CID 162212406
N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-7-(4-phenylphenyl)fluoren-2-amine
CID 118428459
N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline;N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-(4-phenylphenyl)aniline;4-(9,9-dimethylfluoren-2-yl)-N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N,4-diphenylaniline;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-(2-phenylphenyl)-N,N-bis[4-(2-phenylphenyl)phenyl]aniline
CID 159257633
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-(4-phenanthren-9-ylphenyl)-N-phenylfluoren-2-amine
CID 118500370
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[3-(6-phenylphenanthren-3-yl)phenyl]fluoren-2-amine
CID 138743065
N-[4-[2,5-diphenyl-4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 176611444
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 167324461
N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline
CID 59757697
9,9-dimethyl-7-naphthalen-1-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118500254
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]fluoren-2-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-[4-(N-(4-naphthalen-1-ylphenyl)-4-phenylanilino)phenyl]phenyl]-4-phenylaniline;N-(4-naphthalen-2-ylphenyl)-N-[4-[4-(N-(4-naphthalen-2-ylphenyl)-4-phenylanilino)phenyl]phenyl]-4-phenylaniline;N-[4-[4-(N-(4-naphthalen-1-ylphenyl)-4-phenylanilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-(N-(4-naphthalen-2-ylphenyl)-4-phenylanilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 158189817

Frequently Asked Questions

What is the IUPAC name of 4-(9,9-dimethylfluoren-2-yl)-N-[4-(6-pentacyclo[11.7.1.13,7.017,21.011,22]docosa-1(20),3,5,7,9,11(22),13,15,17(21),18-decaenyl)phenyl]-N-phenylaniline?
The IUPAC name of 4-(9,9-dimethylfluoren-2-yl)-N-[4-(6-pentacyclo[11.7.1.13,7.017,21.011,22]docosa-1(20),3,5,7,9,11(22),13,15,17(21),18-decaenyl)phenyl]-N-phenylaniline (CID 139435613) is 4-(9,9-dimethylfluoren-2-yl)-N-[4-(6-pentacyclo[11.7.1.13,7.017,21.011,22]docosa-1(20),3,5,7,9,11(22),13,15,17(21),18-decaenyl)phenyl]-N-phenylaniline.
What is the SMILES notation for 4-(9,9-dimethylfluoren-2-yl)-N-[4-(6-pentacyclo[11.7.1.13,7.017,21.011,22]docosa-1(20),3,5,7,9,11(22),13,15,17(21),18-decaenyl)phenyl]-N-phenylaniline?
The canonical SMILES for 4-(9,9-dimethylfluoren-2-yl)-N-[4-(6-pentacyclo[11.7.1.13,7.017,21.011,22]docosa-1(20),3,5,7,9,11(22),13,15,17(21),18-decaenyl)phenyl]-N-phenylaniline is CC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc6c7c(cccc57)Cc5cccc7cccc(c57)C6)cc4)cc3)cc21.
What is the InChIKey of 4-(9,9-dimethylfluoren-2-yl)-N-[4-(6-pentacyclo[11.7.1.13,7.017,21.011,22]docosa-1(20),3,5,7,9,11(22),13,15,17(21),18-decaenyl)phenyl]-N-phenylaniline?
The InChIKey is WHKAJMAKXMPSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H41N/c1-55(2)51-20-7-6-18-48(51)49-32-25-39(35-52(49)55)36-21-27-45(28-22-36)56(44-16-4-3-5-17-44)46-29-23-37(24-30-46)47-31-26-43-34-41-14-9-12-38-11-8-13-40(53(38)41)33-42-15-10-19-50(47)54(42)43/h3-32,35H,33-34H2,1-2H3.
What are the key properties of 4-(9,9-dimethylfluoren-2-yl)-N-[4-(6-pentacyclo[11.7.1.13,7.017,21.011,22]docosa-1(20),3,5,7,9,11(22),13,15,17(21),18-decaenyl)phenyl]-N-phenylaniline?
4-(9,9-dimethylfluoren-2-yl)-N-[4-(6-pentacyclo[11.7.1.13,7.017,21.011,22]docosa-1(20),3,5,7,9,11(22),13,15,17(21),18-decaenyl)phenyl]-N-phenylaniline has a molecular weight of 715.94 g/mol, XLogP of 14.60, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9,9-dimethylfluoren-2-yl)-N-[4-(6-pentacyclo[11.7.1.13,7.017,21.011,22]docosa-1(20),3,5,7,9,11(22),13,15,17(21),18-decaenyl)phenyl]-N-phenylaniline is sourced from PubChem (CID 139435613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).