CID 145141140

C75H74N2 — CID 145141140

IUPAC—
SMILESCC1(C)c2ccccc2C2=CC=C(C3=NC(C4CC=C(c5ccccc5)CC4)C=C(C4=CC=C(C5=CC6C(C=C5)c5ccccc5C65C6=C(CCC=C6)C6(C7=C(C=CCC7)C7CCC=CC76)C6CCC=CC65)CC4)N3)CC21
InChIInChI=1S/C75H74N2/c1-73(2)60-24-10-6-20-54(60)58-43-41-53(45-68(58)73)72-76-70(50-36-32-48(33-37-50)47-18-4-3-5-19-47)46-71(77-72)51-38-34-49(35-39-51)52-40-42-59-57-23-9-13-27-63(57)75(69(59)44-52)66-30-16-14-28-64(66)74(65-29-15-17-31-67(65)75)61-25-11-7-21-55(61)56-22-8-12-26-62(56)74/h3-7,9-10,12-13,16-21,23-24,26-27,30-32,34,38,40-44,46,50,56,59,62,64,66,68-70H,8,11,14-15,22,25,28-29,33,35-37,39,45H2,1-2H3,(H,76,77)
InChIKeySIJDYSBTCROQTD-UHFFFAOYSA-N
MW1003.43 g/mol
LogP17.71
Rot. Bonds5

About CID 145141140

CID 145141140 (PubChem CID 145141140) has the molecular formula C75H74N2 and a molecular weight of 1003.43 g/mol.

Molecular Properties

Compound NameCID 145141140
PubChem CID145141140
Molecular FormulaC75H74N2
Molecular Weight1003.43 g/mol
Exact Mass1002.59
IUPAC Name—
SMILESCC1(C)c2ccccc2C2=CC=C(C3=NC(C4CC=C(c5ccccc5)CC4)C=C(C4=CC=C(C5=CC6C(C=C5)c5ccccc5C65C6=C(CCC=C6)C6(C7=C(C=CCC7)C7CCC=CC76)C6CCC=CC65)CC4)N3)CC21
InChIInChI=1S/C75H74N2/c1-73(2)60-24-10-6-20-54(60)58-43-41-53(45-68(58)73)72-76-70(50-36-32-48(33-37-50)47-18-4-3-5-19-47)46-71(77-72)51-38-34-49(35-39-51)52-40-42-59-57-23-9-13-27-63(57)75(69(59)44-52)66-30-16-14-28-64(66)74(65-29-15-17-31-67(65)75)61-25-11-7-21-55(61)56-22-8-12-26-62(56)74/h3-7,9-10,12-13,16-21,23-24,26-27,30-32,34,38,40-44,46,50,56,59,62,64,66,68-70H,8,11,14-15,22,25,28-29,33,35-37,39,45H2,1-2H3,(H,76,77)
InChIKeySIJDYSBTCROQTD-UHFFFAOYSA-N
XLogP17.71
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001003.43
LogP ≤ 517.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(8aR)-4-iodo-1,7,8,8a-tetrahydronaphthalen-1-yl]-9,9-dimethyl-1,9a-dihydrofluorene
CID 70994381
CID 145141180
CID 145141180
2-[4-[3-buta-1,3-dienyl-4-(3-phenyl-7,8-dihydronaphthalen-2-yl)-4a,8a-dihydronaphthalen-1-yl]cyclohexa-1,3-dien-1-yl]-9,9-dimethyl-1,9a-dihydrofluorene
CID 90774554
6,12-bis(1,7,8,8a-tetrahydronaphthalen-1-yl)-3-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-1,9a-dihydrofluoren-2-yl]-1,2,4b,10,10a,10b-hexahydrochrysene
CID 90718313
4-(5,6-dihydronaphthalen-2-yl)-2-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-6-(9,9-dimethylfluoren-2-yl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 134603840
3-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)-6,12-bis(9,9-dimethyl-1,2-dihydrofluoren-2-yl)-4b,10b-dihydrochrysene
CID 90753880
6-(1,2-dihydronaphthalen-1-yl)-8-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)-12-(1,2,5,6-tetrahydronaphthalen-1-yl)-1,9,10,12a-tetrahydrochrysene
CID 90732347
N-(9,9-dimethyl-1,5,6,9a-tetrahydrofluoren-2-yl)-N-[4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-2,4-dien-1-yl]spiro[3,4-dihydrofluorene-9,9'-4,4a,4b,7,8,8a-hexahydrofluorene]-2'-amine
CID 170003790
2-(4a,8a-dihydronaphthalen-1-yl)-9,9-dimethyl-1,9a-dihydrofluorene
CID 123963196
7-bromospiro[3,4,4a,5,6,9a-hexahydrofluorene-9,9'-4a,9a-dihydrofluorene]
CID 166957248
6-cyclohexa-1,3-dien-1-yl-2-[4-(6,6-dimethylspiro[5a,10b-dihydroindeno[2,1-h]fluorene-12,1'-cyclohexane]-1-yl)phenyl]-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 166902275
6'-[6-[9-(4,4a-dihydrodibenzofuran-3-yl)-9-methylfluoren-1-yl]naphthalen-2-yl]-15'-methylspiro[1,2,4a,9a-tetrahydrofluorene-9,11'-15-azatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,8,12(17)-pentaene]
CID 129311012

Frequently Asked Questions

What is the IUPAC name of CID 145141140?
The IUPAC name of CID 145141140 (CID 145141140) is not available.
What is the SMILES notation for CID 145141140?
The canonical SMILES for CID 145141140 is CC1(C)c2ccccc2C2=CC=C(C3=NC(C4CC=C(c5ccccc5)CC4)C=C(C4=CC=C(C5=CC6C(C=C5)c5ccccc5C65C6=C(CCC=C6)C6(C7=C(C=CCC7)C7CCC=CC76)C6CCC=CC65)CC4)N3)CC21.
What is the InChIKey of CID 145141140?
The InChIKey is SIJDYSBTCROQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H74N2/c1-73(2)60-24-10-6-20-54(60)58-43-41-53(45-68(58)73)72-76-70(50-36-32-48(33-37-50)47-18-4-3-5-19-47)46-71(77-72)51-38-34-49(35-39-51)52-40-42-59-57-23-9-13-27-63(57)75(69(59)44-52)66-30-16-14-28-64(66)74(65-29-15-17-31-67(65)75)61-25-11-7-21-55(61)56-22-8-12-26-62(56)74/h3-7,9-10,12-13,16-21,23-24,26-27,30-32,34,38,40-44,46,50,56,59,62,64,66,68-70H,8,11,14-15,22,25,28-29,33,35-37,39,45H2,1-2H3,(H,76,77).
What are the key properties of CID 145141140?
CID 145141140 has a molecular weight of 1003.43 g/mol, XLogP of 17.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 145141140 is sourced from PubChem (CID 145141140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).