CID 145229280

C64H49N — CID 145229280

IUPAC—
SMILESC1=C(C2=Cc3c(n(-c4ccccc4)c4ccccc34)CC2)CCC(c2cccc3c2C2(c4ccccc4-c4ccccc42)c2ccccc2C32c3ccccc3-c3ccccc32)=C1.CC
InChIInChI=1S/C62H43N.C2H6/c1-2-17-43(18-3-1)63-58-32-15-8-23-49(58)50-39-42(37-38-59(50)63)40-33-35-41(36-34-40)44-24-16-31-57-60(44)62(53-27-11-6-21-47(53)48-22-7-12-28-54(48)62)56-30-14-13-29-55(56)61(57)51-25-9-4-19-45(51)46-20-5-10-26-52(46)61;1-2/h1-33,35,39H,34,36-38H2;1-2H3
InChIKeyKTTZQAOGAXWWEX-UHFFFAOYSA-N
MW832.10 g/mol
LogP15.83
Rot. Bonds3

About CID 145229280

CID 145229280 (PubChem CID 145229280) has the molecular formula C64H49N and a molecular weight of 832.10 g/mol.

Molecular Properties

Compound NameCID 145229280
PubChem CID145229280
Molecular FormulaC64H49N
Molecular Weight832.10 g/mol
Exact Mass831.39
IUPAC Name—
SMILESC1=C(C2=Cc3c(n(-c4ccccc4)c4ccccc34)CC2)CCC(c2cccc3c2C2(c4ccccc4-c4ccccc42)c2ccccc2C32c3ccccc3-c3ccccc32)=C1.CC
InChIInChI=1S/C62H43N.C2H6/c1-2-17-43(18-3-1)63-58-32-15-8-23-49(58)50-39-42(37-38-59(50)63)40-33-35-41(36-34-40)44-24-16-31-57-60(44)62(53-27-11-6-21-47(53)48-22-7-12-28-54(48)62)56-30-14-13-29-55(56)61(57)51-25-9-4-19-45(51)46-20-5-10-26-52(46)61;1-2/h1-33,35,39H,34,36-38H2;1-2H3
InChIKeyKTTZQAOGAXWWEX-UHFFFAOYSA-N
XLogP15.83
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500832.10
LogP ≤ 515.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze CID 145229280 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

9-phenyl-2-(9-phenylcarbazol-3-yl)-7-(9-phenyl-1,2-dihydrocarbazol-3-yl)carbazole
CID 163966480
N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)-1,2-dihydrocarbazol-3-amine
CID 122691770
9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59236537
CID 134451097
CID 134451097
7-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)indolo[2,3-b]carbazole
CID 122595613
9,9-dimethyl-N-(3-phenylcyclohexa-2,4-dien-1-yl)-N-[4-(9-phenyl-1,2-dihydrocarbazol-3-yl)phenyl]fluoren-2-amine
CID 146189114
9-phenyl-3-(3'-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-3-yl)carbazole
CID 138623650
4-(5,11-diphenyl-9,10-dihydroindolo[3,2-b]carbazol-8-yl)-N,N-diphenylaniline
CID 163457269
CID 121385110
CID 121385110
5,5'-bis(9-phenylcarbazol-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole]
CID 90337261
5'-phenyl-3'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 130288956
9-phenyl-3-(4'-phenyl-10,10'-spirobi[9H-anthracene]-2-yl)carbazole
CID 134527537

Frequently Asked Questions

What is the IUPAC name of CID 145229280?
The IUPAC name of CID 145229280 (CID 145229280) is not available.
What is the SMILES notation for CID 145229280?
The canonical SMILES for CID 145229280 is C1=C(C2=Cc3c(n(-c4ccccc4)c4ccccc34)CC2)CCC(c2cccc3c2C2(c4ccccc4-c4ccccc42)c2ccccc2C32c3ccccc3-c3ccccc32)=C1.CC.
What is the InChIKey of CID 145229280?
The InChIKey is KTTZQAOGAXWWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H43N.C2H6/c1-2-17-43(18-3-1)63-58-32-15-8-23-49(58)50-39-42(37-38-59(50)63)40-33-35-41(36-34-40)44-24-16-31-57-60(44)62(53-27-11-6-21-47(53)48-22-7-12-28-54(48)62)56-30-14-13-29-55(56)61(57)51-25-9-4-19-45(51)46-20-5-10-26-52(46)61;1-2/h1-33,35,39H,34,36-38H2;1-2H3.
What are the key properties of CID 145229280?
CID 145229280 has a molecular weight of 832.10 g/mol, XLogP of 15.83, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 145229280 is sourced from PubChem (CID 145229280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).