7-(3-chloro-9,9-dimethylfluoren-2-yl)-N,N-diphenylphenanthren-2-amine

C41H30ClN — CID 177084268

IUPAC7-(3-chloro-9,9-dimethylfluoren-2-yl)-N,N-diphenylphenanthren-2-amine
SMILESCC1(C)c2ccccc2-c2cc(Cl)c(-c3ccc4c(ccc5cc(N(c6ccccc6)c6ccccc6)ccc54)c3)cc21
InChIInChI=1S/C41H30ClN/c1-41(2)38-16-10-9-15-35(38)37-26-40(42)36(25-39(37)41)28-19-21-33-27(23-28)17-18-29-24-32(20-22-34(29)33)43(30-11-5-3-6-12-30)31-13-7-4-8-14-31/h3-26H,1-2H3
InChIKeyHOZZUHJURBGIIS-UHFFFAOYSA-N
MW572.15 g/mol
LogP12.09
Rot. Bonds4

About 7-(3-chloro-9,9-dimethylfluoren-2-yl)-N,N-diphenylphenanthren-2-amine

7-(3-chloro-9,9-dimethylfluoren-2-yl)-N,N-diphenylphenanthren-2-amine (PubChem CID 177084268) has the molecular formula C41H30ClN and a molecular weight of 572.15 g/mol. Its IUPAC name is 7-(3-chloro-9,9-dimethylfluoren-2-yl)-N,N-diphenylphenanthren-2-amine.

Molecular Properties

Compound Name7-(3-chloro-9,9-dimethylfluoren-2-yl)-N,N-diphenylphenanthren-2-amine
PubChem CID177084268
Molecular FormulaC41H30ClN
Molecular Weight572.15 g/mol
Exact Mass571.21
IUPAC Name7-(3-chloro-9,9-dimethylfluoren-2-yl)-N,N-diphenylphenanthren-2-amine
SMILESCC1(C)c2ccccc2-c2cc(Cl)c(-c3ccc4c(ccc5cc(N(c6ccccc6)c6ccccc6)ccc54)c3)cc21
InChIInChI=1S/C41H30ClN/c1-41(2)38-16-10-9-15-35(38)37-26-40(42)36(25-39(37)41)28-19-21-33-27(23-28)17-18-29-24-32(20-22-34(29)33)43(30-11-5-3-6-12-30)31-13-7-4-8-14-31/h3-26H,1-2H3
InChIKeyHOZZUHJURBGIIS-UHFFFAOYSA-N
XLogP12.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.15
LogP ≤ 512.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-N-(9,9-dimethylfluoren-2-yl)-1-N-(10,10-dimethyl-17-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaenyl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 171052166
10,10-dimethyl-N-phenyl-N-triphenylen-2-ylpentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-17-amine
CID 168740172
11,11-dimethyl-N-phenyl-N-(4-phenylphenyl)benzo[b]fluoren-7-amine
CID 156554249
2-N-(9,9-dimethylfluoren-2-yl)-7-N-[7-(N-(9,9-dimethylfluoren-2-yl)anilino)phenanthren-2-yl]-2-N,7-N-diphenylphenanthrene-2,7-diamine;2-N,7-N-dinaphthalen-1-yl-2-N-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]-7-N-phenylphenanthrene-2,7-diamine;2-N-naphthalen-1-yl-7-N-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]-2-N-phenyl-7-N-(4-phenylphenyl)phenanthrene-2,7-diamine
CID 158290526
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenanthren-9-yl-N-phenylfluoren-2-amine
CID 118500286
N-[4-[2-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 121298487
9,9-dimethyl-N-[4-(6-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)phenyl]-N-(3-phenylphenyl)fluoren-2-amine
CID 177100656
11,11-dimethyl-N,N-diphenylbenzo[a]fluoren-3-amine;11,11-dimethyl-N,N-diphenyl-2-[4-(N-phenylanilino)phenyl]benzo[b]fluoren-8-amine;11,11-dimethyl-N,N-diphenyl-8-[4-(N-phenylanilino)phenyl]benzo[b]fluoren-2-amine
CID 163735962
7-[3-(1,3-diphenyl-2H-1,3-benzodiborol-4-yl)-9,9-dimethylfluoren-2-yl]-N,N-diphenylphenanthren-2-amine
CID 177084404
7-N-(10,10-dimethyl-17-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaenyl)-1-N,1-N,7-N-triphenylnaphthalene-1,7-diamine
CID 171052217
10-(9,9-dimethylfluoren-2-yl)-N-phenyl-N-(4-phenylphenyl)phenanthren-2-amine
CID 177079830
4-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 59025126

Frequently Asked Questions

What is the IUPAC name of 7-(3-chloro-9,9-dimethylfluoren-2-yl)-N,N-diphenylphenanthren-2-amine?
The IUPAC name of 7-(3-chloro-9,9-dimethylfluoren-2-yl)-N,N-diphenylphenanthren-2-amine (CID 177084268) is 7-(3-chloro-9,9-dimethylfluoren-2-yl)-N,N-diphenylphenanthren-2-amine.
What is the SMILES notation for 7-(3-chloro-9,9-dimethylfluoren-2-yl)-N,N-diphenylphenanthren-2-amine?
The canonical SMILES for 7-(3-chloro-9,9-dimethylfluoren-2-yl)-N,N-diphenylphenanthren-2-amine is CC1(C)c2ccccc2-c2cc(Cl)c(-c3ccc4c(ccc5cc(N(c6ccccc6)c6ccccc6)ccc54)c3)cc21.
What is the InChIKey of 7-(3-chloro-9,9-dimethylfluoren-2-yl)-N,N-diphenylphenanthren-2-amine?
The InChIKey is HOZZUHJURBGIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H30ClN/c1-41(2)38-16-10-9-15-35(38)37-26-40(42)36(25-39(37)41)28-19-21-33-27(23-28)17-18-29-24-32(20-22-34(29)33)43(30-11-5-3-6-12-30)31-13-7-4-8-14-31/h3-26H,1-2H3.
What are the key properties of 7-(3-chloro-9,9-dimethylfluoren-2-yl)-N,N-diphenylphenanthren-2-amine?
7-(3-chloro-9,9-dimethylfluoren-2-yl)-N,N-diphenylphenanthren-2-amine has a molecular weight of 572.15 g/mol, XLogP of 12.09, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chloro-9,9-dimethylfluoren-2-yl)-N,N-diphenylphenanthren-2-amine is sourced from PubChem (CID 177084268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).