(Z)-1-[4-[1-[2-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-3-(4-phenylphenyl)prop-1-ene-1,3-diamine

C62H48N2 — CID 145327246

IUPAC(Z)-1-[4-[1-[2-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-3-(4-phenylphenyl)prop-1-ene-1,3-diamine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc5ccccc5c4-c4c(-c5ccc(/C(N)=C/C(N)c6ccc(-c7ccccc7)cc6)cc5)ccc5ccccc45)cc3)cc21
InChIInChI=1S/C62H48N2/c1-62(2)56-19-11-10-18-54(56)55-37-34-49(38-57(55)62)42-20-24-45(25-21-42)52-35-32-43-14-6-8-16-50(43)60(52)61-51-17-9-7-15-44(51)33-36-53(61)46-26-30-48(31-27-46)59(64)39-58(63)47-28-22-41(23-29-47)40-12-4-3-5-13-40/h3-39,58H,63-64H2,1-2H3/b59-39-
InChIKeyJOLVANXRMHAVPV-IEXFSSIFSA-N
MW821.08 g/mol
LogP15.63
Rot. Bonds8

About (Z)-1-[4-[1-[2-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-3-(4-phenylphenyl)prop-1-ene-1,3-diamine

(Z)-1-[4-[1-[2-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-3-(4-phenylphenyl)prop-1-ene-1,3-diamine (PubChem CID 145327246) has the molecular formula C62H48N2 and a molecular weight of 821.08 g/mol. Its IUPAC name is (Z)-1-[4-[1-[2-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-3-(4-phenylphenyl)prop-1-ene-1,3-diamine.

Molecular Properties

Compound Name(Z)-1-[4-[1-[2-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-3-(4-phenylphenyl)prop-1-ene-1,3-diamine
PubChem CID145327246
Molecular FormulaC62H48N2
Molecular Weight821.08 g/mol
Exact Mass820.38
IUPAC Name(Z)-1-[4-[1-[2-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-3-(4-phenylphenyl)prop-1-ene-1,3-diamine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc5ccccc5c4-c4c(-c5ccc(/C(N)=C/C(N)c6ccc(-c7ccccc7)cc6)cc5)ccc5ccccc45)cc3)cc21
InChIInChI=1S/C62H48N2/c1-62(2)56-19-11-10-18-54(56)55-37-34-49(38-57(55)62)42-20-24-45(25-21-42)52-35-32-43-14-6-8-16-50(43)60(52)61-51-17-9-7-15-44(51)33-36-53(61)46-26-30-48(31-27-46)59(64)39-58(63)47-28-22-41(23-29-47)40-12-4-3-5-13-40/h3-39,58H,63-64H2,1-2H3/b59-39-
InChIKeyJOLVANXRMHAVPV-IEXFSSIFSA-N
XLogP15.63
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500821.08
LogP ≤ 515.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (Z)-1-[4-[1-[2-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-3-(4-phenylphenyl)prop-1-ene-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[1-[2-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 129228067
9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-(2-phenylnaphthalen-1-yl)anthracene
CID 59196085
2-[4-[[4-(9,9-dimethylfluoren-2-yl)phenyl]-[4-(4-phenylphenyl)phenyl]methyl]phenyl]-9,9-dimethylfluorene
CID 165167642
6-[[4-(9,9-dimethylfluoren-2-yl)phenyl]-(4-phenylphenyl)methyl]-11,11-dimethyl-5-phenylbenzo[a]fluorene
CID 169280508
9-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-7,7-dimethylbenzo[c]fluorene
CID 58151561
2-[4-[4-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 129228023
2,7-bis[9,9-dimethyl-7-[3-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluorene
CID 58881057
2-[9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)fluoren-2-yl]-9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluorene
CID 123969680
8,8,13,13-tetramethyl-5,16-bis(2-phenylnaphthalen-1-yl)hexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene
CID 59181663
5-[4-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene
CID 140710800
1-(9,9-dimethylfluoren-2-yl)-2-(4-phenylphenyl)phenanthren-4-amine
CID 155125120
9-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-10-phenylanthracene
CID 123170824

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[4-[1-[2-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-3-(4-phenylphenyl)prop-1-ene-1,3-diamine?
The IUPAC name of (Z)-1-[4-[1-[2-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-3-(4-phenylphenyl)prop-1-ene-1,3-diamine (CID 145327246) is (Z)-1-[4-[1-[2-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-3-(4-phenylphenyl)prop-1-ene-1,3-diamine.
What is the SMILES notation for (Z)-1-[4-[1-[2-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-3-(4-phenylphenyl)prop-1-ene-1,3-diamine?
The canonical SMILES for (Z)-1-[4-[1-[2-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-3-(4-phenylphenyl)prop-1-ene-1,3-diamine is CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc5ccccc5c4-c4c(-c5ccc(/C(N)=C/C(N)c6ccc(-c7ccccc7)cc6)cc5)ccc5ccccc45)cc3)cc21.
What is the InChIKey of (Z)-1-[4-[1-[2-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-3-(4-phenylphenyl)prop-1-ene-1,3-diamine?
The InChIKey is JOLVANXRMHAVPV-IEXFSSIFSA-N. The full InChI is InChI=1S/C62H48N2/c1-62(2)56-19-11-10-18-54(56)55-37-34-49(38-57(55)62)42-20-24-45(25-21-42)52-35-32-43-14-6-8-16-50(43)60(52)61-51-17-9-7-15-44(51)33-36-53(61)46-26-30-48(31-27-46)59(64)39-58(63)47-28-22-41(23-29-47)40-12-4-3-5-13-40/h3-39,58H,63-64H2,1-2H3/b59-39-.
What are the key properties of (Z)-1-[4-[1-[2-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-3-(4-phenylphenyl)prop-1-ene-1,3-diamine?
(Z)-1-[4-[1-[2-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-3-(4-phenylphenyl)prop-1-ene-1,3-diamine has a molecular weight of 821.08 g/mol, XLogP of 15.63, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[4-[1-[2-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-3-(4-phenylphenyl)prop-1-ene-1,3-diamine is sourced from PubChem (CID 145327246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).