CID 134171795

C62H41N — CID 134171795

IUPAC—
SMILESC1=CCCC(n2c3ccccc3c3cc(-c4ccc(-c5cccc6c5C5(c7ccccc7-6)c6ccccc6C6(c7ccccc7-c7ccccc76)c6ccccc65)cc4)ccc32)=C1
InChIInChI=1S/C62H41N/c1-2-17-43(18-3-1)63-58-32-15-7-22-48(58)50-39-42(37-38-59(50)63)40-33-35-41(36-34-40)44-23-16-24-49-47-21-6-10-27-53(47)62(60(44)49)56-30-13-11-28-54(56)61(55-29-12-14-31-57(55)62)51-25-8-4-19-45(51)46-20-5-9-26-52(46)61/h1-2,4-17,19-39H,3,18H2
InChIKeyIERPKUOXRSHSOP-UHFFFAOYSA-N
MW800.02 g/mol
LogP15.36
Rot. Bonds3

About CID 134171795

CID 134171795 (PubChem CID 134171795) has the molecular formula C62H41N and a molecular weight of 800.02 g/mol.

Molecular Properties

Compound NameCID 134171795
PubChem CID134171795
Molecular FormulaC62H41N
Molecular Weight800.02 g/mol
Exact Mass799.32
IUPAC Name—
SMILESC1=CCCC(n2c3ccccc3c3cc(-c4ccc(-c5cccc6c5C5(c7ccccc7-6)c6ccccc6C6(c7ccccc7-c7ccccc76)c6ccccc65)cc4)ccc32)=C1
InChIInChI=1S/C62H41N/c1-2-17-43(18-3-1)63-58-32-15-7-22-48(58)50-39-42(37-38-59(50)63)40-33-35-41(36-34-40)44-23-16-24-49-47-21-6-10-27-53(47)62(60(44)49)56-30-13-11-28-54(56)61(55-29-12-14-31-57(55)62)51-25-8-4-19-45(51)46-20-5-9-26-52(46)61/h1-2,4-17,19-39H,3,18H2
InChIKeyIERPKUOXRSHSOP-UHFFFAOYSA-N
XLogP15.36
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500800.02
LogP ≤ 515.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 146658906
N-[4-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)phenyl]-4-phenylaniline
CID 153115110
3-[9-(9-cyclohexa-1,3-dien-1-ylcarbazol-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 142364492
N-[4-(9-cyclohexa-1,3-dien-1-yl-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaen-5-yl)phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 145321954
9-cyclohexa-1,3-dien-1-yl-N-[4-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)cyclohexa-1,3-dien-1-yl]-N-phenylcarbazol-2-amine
CID 146413776
10-cyclohexa-1,3-dien-1-yl-1'-naphthalen-2-ylspiro[acridine-9,9'-fluorene]
CID 135293740
3-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)-9-dibenzothiophen-1-yl-6-phenylcarbazole
CID 169036908
7-cyclohexa-1,3-dien-1-yl-10-[5-(9-phenylcarbazol-3-yl)naphthalen-1-yl]benzo[c]carbazole
CID 139481313
2-[10-(4-bromophenyl)-10-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)anthracen-9-ylidene]propanedinitrile
CID 149292511
9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59236537
9-cyclohexa-1,3-dien-1-yl-3-(6-methyldibenzothiophen-3-yl)carbazole
CID 142364398
3-phenyl-9-(9,9'-spirobi[fluorene]-4-yl)carbazole
CID 126538623

Frequently Asked Questions

What is the IUPAC name of CID 134171795?
The IUPAC name of CID 134171795 (CID 134171795) is not available.
What is the SMILES notation for CID 134171795?
The canonical SMILES for CID 134171795 is C1=CCCC(n2c3ccccc3c3cc(-c4ccc(-c5cccc6c5C5(c7ccccc7-6)c6ccccc6C6(c7ccccc7-c7ccccc76)c6ccccc65)cc4)ccc32)=C1.
What is the InChIKey of CID 134171795?
The InChIKey is IERPKUOXRSHSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H41N/c1-2-17-43(18-3-1)63-58-32-15-7-22-48(58)50-39-42(37-38-59(50)63)40-33-35-41(36-34-40)44-23-16-24-49-47-21-6-10-27-53(47)62(60(44)49)56-30-13-11-28-54(56)61(55-29-12-14-31-57(55)62)51-25-8-4-19-45(51)46-20-5-9-26-52(46)61/h1-2,4-17,19-39H,3,18H2.
What are the key properties of CID 134171795?
CID 134171795 has a molecular weight of 800.02 g/mol, XLogP of 15.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134171795 is sourced from PubChem (CID 134171795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).