CID 172510748

C58H57N2 — CID 172510748

IUPAC—
SMILESCC(C)c1cccc(C(C)C)c1N1[C](c2ccc(N(c3ccc4c(c3)-c3ccccc3C4(C)C)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)c2ccccc2C1(C)C
InChIInChI=1S/C58H57N2/c1-36(2)42-21-17-22-43(37(3)4)55(42)60-54(47-20-13-16-25-52(47)58(60,9)10)38-26-28-39(29-27-38)59(40-31-33-51-48(34-40)45-19-12-15-24-50(45)56(51,5)6)41-30-32-46-44-18-11-14-23-49(44)57(7,8)53(46)35-41/h11-37H,1-10H3
InChIKeyVFUMJIWQSZHPGE-UHFFFAOYSA-N
MW782.11 g/mol
LogP15.70
Rot. Bonds7

About CID 172510748

CID 172510748 (PubChem CID 172510748) has the molecular formula C58H57N2 and a molecular weight of 782.11 g/mol.

Molecular Properties

Compound NameCID 172510748
PubChem CID172510748
Molecular FormulaC58H57N2
Molecular Weight782.11 g/mol
Exact Mass781.45
IUPAC Name—
SMILESCC(C)c1cccc(C(C)C)c1N1[C](c2ccc(N(c3ccc4c(c3)-c3ccccc3C4(C)C)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)c2ccccc2C1(C)C
InChIInChI=1S/C58H57N2/c1-36(2)42-21-17-22-43(37(3)4)55(42)60-54(47-20-13-16-25-52(47)58(60,9)10)38-26-28-39(29-27-38)59(40-31-33-51-48(34-40)45-19-12-15-24-50(45)56(51,5)6)41-30-32-46-44-18-11-14-23-49(44)57(7,8)53(46)35-41/h11-37H,1-10H3
InChIKeyVFUMJIWQSZHPGE-UHFFFAOYSA-N
XLogP15.70
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.11
LogP ≤ 515.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 172510642
CID 172510642
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 158242505
N,N-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-3-amine
CID 154972869
9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-3-amine
CID 121285785
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
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 138498501
N-[4-(9,9-dimethyl-7-phenylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 164822424
4-N-(9,9-dimethylfluoren-2-yl)-4-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-1-N-phenyl-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 138667384
9,9-dimethyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N-(4-methylphenyl)fluoren-3-amine
CID 71249366
N-[4-[2-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 121298487
bis(N,N-bis(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine);N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-9,9'-spirobi[fluorene]-2-amine
CID 161294273

Frequently Asked Questions

What is the IUPAC name of CID 172510748?
The IUPAC name of CID 172510748 (CID 172510748) is not available.
What is the SMILES notation for CID 172510748?
The canonical SMILES for CID 172510748 is CC(C)c1cccc(C(C)C)c1N1[C](c2ccc(N(c3ccc4c(c3)-c3ccccc3C4(C)C)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)c2ccccc2C1(C)C.
What is the InChIKey of CID 172510748?
The InChIKey is VFUMJIWQSZHPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H57N2/c1-36(2)42-21-17-22-43(37(3)4)55(42)60-54(47-20-13-16-25-52(47)58(60,9)10)38-26-28-39(29-27-38)59(40-31-33-51-48(34-40)45-19-12-15-24-50(45)56(51,5)6)41-30-32-46-44-18-11-14-23-49(44)57(7,8)53(46)35-41/h11-37H,1-10H3.
What are the key properties of CID 172510748?
CID 172510748 has a molecular weight of 782.11 g/mol, XLogP of 15.70, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172510748 is sourced from PubChem (CID 172510748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).