CID 167176882

C71H49N — CID 167176882

IUPAC—
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc(N(c4ccccc4)c4ccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5C65c6ccccc6-c6ccccc65)cc4)c3)cc21
InChIInChI=1S/C71H49N/c1-69(2)59-28-11-6-23-53(59)58-41-37-49(44-67(58)69)47-19-18-22-52(43-47)72(50-20-4-3-5-21-50)51-39-35-46(36-40-51)48-38-42-66-68(45-48)71(62-31-14-9-26-56(62)57-27-10-15-32-63(57)71)65-34-17-16-33-64(65)70(66)60-29-12-7-24-54(60)55-25-8-13-30-61(55)70/h3-45H,1-2H3
InChIKeyIJVOIAYROZXRKO-UHFFFAOYSA-N
MW916.18 g/mol
LogP17.84
Rot. Bonds5

About CID 167176882

CID 167176882 (PubChem CID 167176882) has the molecular formula C71H49N and a molecular weight of 916.18 g/mol.

Molecular Properties

Compound NameCID 167176882
PubChem CID167176882
Molecular FormulaC71H49N
Molecular Weight916.18 g/mol
Exact Mass915.39
IUPAC Name—
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc(N(c4ccccc4)c4ccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5C65c6ccccc6-c6ccccc65)cc4)c3)cc21
InChIInChI=1S/C71H49N/c1-69(2)59-28-11-6-23-53(59)58-41-37-49(44-67(58)69)47-19-18-22-52(43-47)72(50-20-4-3-5-21-50)51-39-35-46(36-40-51)48-38-42-66-68(45-48)71(62-31-14-9-26-56(62)57-27-10-15-32-63(57)71)65-34-17-16-33-64(65)70(66)60-29-12-7-24-54(60)55-25-8-13-30-61(55)70/h3-45H,1-2H3
InChIKeyIJVOIAYROZXRKO-UHFFFAOYSA-N
XLogP17.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500916.18
LogP ≤ 517.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine
CID 142481404
N-[3-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 146247503
N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 161087354
N-(9,9-dimethylfluoren-2-yl)-2'-phenyl-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 129259092
3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 167176335
9,9-dimethyl-N,N-bis(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine;9,9-dimethyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine;9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine
CID 158705063
N-[3-[6-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-9,9,10,10-tetramethylanthracen-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 59649074
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
4-[3-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-N,N-diphenylaniline
CID 146247412
N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 118298482
N-[4-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 169230595
3-[4-(9',9'-dimethylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene]-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
CID 167117925

Frequently Asked Questions

What is the IUPAC name of CID 167176882?
The IUPAC name of CID 167176882 (CID 167176882) is not available.
What is the SMILES notation for CID 167176882?
The canonical SMILES for CID 167176882 is CC1(C)c2ccccc2-c2ccc(-c3cccc(N(c4ccccc4)c4ccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5C65c6ccccc6-c6ccccc65)cc4)c3)cc21.
What is the InChIKey of CID 167176882?
The InChIKey is IJVOIAYROZXRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H49N/c1-69(2)59-28-11-6-23-53(59)58-41-37-49(44-67(58)69)47-19-18-22-52(43-47)72(50-20-4-3-5-21-50)51-39-35-46(36-40-51)48-38-42-66-68(45-48)71(62-31-14-9-26-56(62)57-27-10-15-32-63(57)71)65-34-17-16-33-64(65)70(66)60-29-12-7-24-54(60)55-25-8-13-30-61(55)70/h3-45H,1-2H3.
What are the key properties of CID 167176882?
CID 167176882 has a molecular weight of 916.18 g/mol, XLogP of 17.84, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 167176882 is sourced from PubChem (CID 167176882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).