CID 172510642

C62H62N5 — CID 172510642

IUPAC—
SMILESCC(C)c1cccc(C(C)C)c1N1[C](c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)N(c2c(C(C)C)cccc2C(C)C)c2nccnc21
InChIInChI=1S/C62H62N5/c1-39(2)49-21-16-22-50(40(3)4)57(49)66-59-60(64-37-36-63-59)67(58-51(41(5)6)23-17-24-52(58)42(7)8)61(66)45-28-32-47(33-29-45)65(46-30-26-44(27-31-46)43-18-12-11-13-19-43)48-34-35-54-53-20-14-15-25-55(53)62(9,10)56(54)38-48/h11-42H,1-10H3
InChIKeySNXUBYIFWNJMTO-UHFFFAOYSA-N
MW877.21 g/mol
LogP17.24
Rot. Bonds11

About CID 172510642

CID 172510642 (PubChem CID 172510642) has the molecular formula C62H62N5 and a molecular weight of 877.21 g/mol.

Molecular Properties

Compound NameCID 172510642
PubChem CID172510642
Molecular FormulaC62H62N5
Molecular Weight877.21 g/mol
Exact Mass876.50
IUPAC Name—
SMILESCC(C)c1cccc(C(C)C)c1N1[C](c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)N(c2c(C(C)C)cccc2C(C)C)c2nccnc21
InChIInChI=1S/C62H62N5/c1-39(2)49-21-16-22-50(40(3)4)57(49)66-59-60(64-37-36-63-59)67(58-51(41(5)6)23-17-24-52(58)42(7)8)61(66)45-28-32-47(33-29-45)65(46-30-26-44(27-31-46)43-18-12-11-13-19-43)48-34-35-54-53-20-14-15-25-55(53)62(9,10)56(54)38-48/h11-42H,1-10H3
InChIKeySNXUBYIFWNJMTO-UHFFFAOYSA-N
XLogP17.24
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500877.21
LogP ≤ 517.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze CID 172510642 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

4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
CID 172510748
CID 172510748
N-[4-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 169230595
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118146254
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
9,9-dimethyl-N,N-bis(4-phenylphenyl)-7-[4-(4-phenyl-N-(4-phenylphenyl)anilino)-2-propan-2-ylphenyl]fluoren-2-amine
CID 123762501
9,9-dimethyl-N-(4-methylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 118146352
9,9-dimethyl-N-[4-(10-phenylphenazin-5-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 90120877
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl)phenyl]fluoren-2-amine
CID 58489858
N-[3,4-bis(4-phenylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 134198401
2-N'-(9,9-dimethylfluoren-2-yl)-2-N',7-N',7-N'-tris(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine
CID 58084629
9,9-dimethyl-N-[4-[4-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 166565824

Frequently Asked Questions

What is the IUPAC name of CID 172510642?
The IUPAC name of CID 172510642 (CID 172510642) is not available.
What is the SMILES notation for CID 172510642?
The canonical SMILES for CID 172510642 is CC(C)c1cccc(C(C)C)c1N1[C](c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)N(c2c(C(C)C)cccc2C(C)C)c2nccnc21.
What is the InChIKey of CID 172510642?
The InChIKey is SNXUBYIFWNJMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H62N5/c1-39(2)49-21-16-22-50(40(3)4)57(49)66-59-60(64-37-36-63-59)67(58-51(41(5)6)23-17-24-52(58)42(7)8)61(66)45-28-32-47(33-29-45)65(46-30-26-44(27-31-46)43-18-12-11-13-19-43)48-34-35-54-53-20-14-15-25-55(53)62(9,10)56(54)38-48/h11-42H,1-10H3.
What are the key properties of CID 172510642?
CID 172510642 has a molecular weight of 877.21 g/mol, XLogP of 17.24, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172510642 is sourced from PubChem (CID 172510642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).