CID 146436698

C93H57NO2 — CID 146436698

IUPAC—
SMILESCC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc5c(cc3-4)C3(c4ccccc4-c4ccccc43)c3ccc4oc6ccccc6c4c3-5)ccc2-c2c1cc(-c1ccc3ccccc3c1)c1oc3ccccc3c21
InChIInChI=1S/C93H57NO2/c1-91(2)78-49-60(43-45-67(78)86-82(91)51-70(58-37-36-55-22-6-7-23-57(55)48-58)90-89(86)69-29-13-19-35-84(69)96-90)94(59-40-38-56(39-41-59)54-20-4-3-5-21-54)61-42-44-66-71-52-81-72(53-80(71)93(79(66)50-61)75-32-16-10-26-64(75)65-27-11-17-33-76(65)93)87-77(46-47-85-88(87)68-28-12-18-34-83(68)95-85)92(81)73-30-14-8-24-62(73)63-25-9-15-31-74(63)92/h3-53H,1-2H3
InChIKeyGRVOHUCNUGAEAK-UHFFFAOYSA-N
MW1220.48 g/mol
LogP24.44
Rot. Bonds5

About CID 146436698

CID 146436698 (PubChem CID 146436698) has the molecular formula C93H57NO2 and a molecular weight of 1220.48 g/mol.

Molecular Properties

Compound NameCID 146436698
PubChem CID146436698
Molecular FormulaC93H57NO2
Molecular Weight1220.48 g/mol
Exact Mass1219.44
IUPAC Name—
SMILESCC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc5c(cc3-4)C3(c4ccccc4-c4ccccc43)c3ccc4oc6ccccc6c4c3-5)ccc2-c2c1cc(-c1ccc3ccccc3c1)c1oc3ccccc3c21
InChIInChI=1S/C93H57NO2/c1-91(2)78-49-60(43-45-67(78)86-82(91)51-70(58-37-36-55-22-6-7-23-57(55)48-58)90-89(86)69-29-13-19-35-84(69)96-90)94(59-40-38-56(39-41-59)54-20-4-3-5-21-54)61-42-44-66-71-52-81-72(53-80(71)93(79(66)50-61)75-32-16-10-26-64(75)65-27-11-17-33-76(65)93)87-77(46-47-85-88(87)68-28-12-18-34-83(68)95-85)92(81)73-30-14-8-24-62(73)63-25-9-15-31-74(63)92/h3-53H,1-2H3
InChIKeyGRVOHUCNUGAEAK-UHFFFAOYSA-N
XLogP24.44
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001220.48
LogP ≤ 524.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine
CID 122504141
CID 163812716
CID 163812716
N-(14,14-dimethyl-11-naphthalen-2-yl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-15,15,25,25-tetramethyl-N-(2,4,6-trimethylphenyl)-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-amine
CID 163565509
CID 146436706
CID 146436706
N-[14,14-dimethyl-11-(2-methylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-15,15,25,25-tetramethyl-N-naphthalen-2-yl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-amine
CID 163789122
N-(14,14-dimethyl-11-phenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-15,15,25,25-tetramethyl-N-(3-phenylphenyl)-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-amine
CID 163949132
N-[14,14-dimethyl-11-(4-methylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-15,15,25,25-tetramethyl-N-phenyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-amine
CID 163893972
9,9-dimethyl-N-phenyl-N-(3-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-2'-ylphenyl)fluoren-2-amine
CID 167118024
6-[4-(N-[6-[9,9-dimethyl-7-(4-phenyl-N-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-2'-ylanilino)fluoren-2-yl]spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]-2'-yl]-4-phenylanilino)dibenzofuran-1-yl]-N-phenyl-N-(4-phenylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine
CID 167118099
7'-phenyl-N,N-bis(4-phenylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine
CID 122504195
N-[14,14-dimethyl-11-(4-phenylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-15,15,25,25-tetramethyl-N-(2,4,6-trimethylphenyl)-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-amine
CID 146436585
N-(11-dibenzofuran-3-yl-14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-15,15,25,25-tetramethyl-N-(2-phenylphenyl)-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-amine
CID 146436608

Frequently Asked Questions

What is the IUPAC name of CID 146436698?
The IUPAC name of CID 146436698 (CID 146436698) is not available.
What is the SMILES notation for CID 146436698?
The canonical SMILES for CID 146436698 is CC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc5c(cc3-4)C3(c4ccccc4-c4ccccc43)c3ccc4oc6ccccc6c4c3-5)ccc2-c2c1cc(-c1ccc3ccccc3c1)c1oc3ccccc3c21.
What is the InChIKey of CID 146436698?
The InChIKey is GRVOHUCNUGAEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C93H57NO2/c1-91(2)78-49-60(43-45-67(78)86-82(91)51-70(58-37-36-55-22-6-7-23-57(55)48-58)90-89(86)69-29-13-19-35-84(69)96-90)94(59-40-38-56(39-41-59)54-20-4-3-5-21-54)61-42-44-66-71-52-81-72(53-80(71)93(79(66)50-61)75-32-16-10-26-64(75)65-27-11-17-33-76(65)93)87-77(46-47-85-88(87)68-28-12-18-34-83(68)95-85)92(81)73-30-14-8-24-62(73)63-25-9-15-31-74(63)92/h3-53H,1-2H3.
What are the key properties of CID 146436698?
CID 146436698 has a molecular weight of 1220.48 g/mol, XLogP of 24.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 146436698 is sourced from PubChem (CID 146436698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).