15-(2-carbazol-9-ylphenyl)-12,18-bis(N-(9,9-dimethylfluoren-1-yl)anilino)-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaen-15-ol

C85H59N3O3 — CID 138735296

IUPAC15-(2-carbazol-9-ylphenyl)-12,18-bis(N-(9,9-dimethylfluoren-1-yl)anilino)-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaen-15-ol
SMILESCC1(C)c2ccccc2-c2cccc(N(c3ccccc3)c3cc4c(c5c3oc3ccccc35)-c3c(cc(N(c5ccccc5)c5cccc6c5C(C)(C)c5ccccc5-6)c5c3oc3ccccc35)C4(O)c3ccccc3-n3c4ccccc4c4ccccc43)c21
InChIInChI=1S/C85H59N3O3/c1-83(2)61-39-17-11-31-53(61)57-37-25-45-69(79(57)83)86(51-27-7-5-8-28-51)71-49-65-78(82-75(71)59-35-15-23-47-73(59)91-82)77-64(85(65,89)63-41-19-22-44-68(63)88-66-42-20-13-33-55(66)56-34-14-21-43-67(56)88)50-72(81-76(77)60-36-16-24-48-74(60)90-81)87(52-29-9-6-10-30-52)70-46-26-38-58-54-32-12-18-40-62(54)84(3,4)80(58)70/h5-50,89H,1-4H3
InChIKeyOWKRWMBFXWQYCR-UHFFFAOYSA-N
MW1170.43 g/mol
LogP22.40
Rot. Bonds8

About 15-(2-carbazol-9-ylphenyl)-12,18-bis(N-(9,9-dimethylfluoren-1-yl)anilino)-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaen-15-ol

15-(2-carbazol-9-ylphenyl)-12,18-bis(N-(9,9-dimethylfluoren-1-yl)anilino)-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaen-15-ol (PubChem CID 138735296) has the molecular formula C85H59N3O3 and a molecular weight of 1170.43 g/mol. Its IUPAC name is 15-(2-carbazol-9-ylphenyl)-12,18-bis(N-(9,9-dimethylfluoren-1-yl)anilino)-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaen-15-ol.

Molecular Properties

Compound Name15-(2-carbazol-9-ylphenyl)-12,18-bis(N-(9,9-dimethylfluoren-1-yl)anilino)-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaen-15-ol
PubChem CID138735296
Molecular FormulaC85H59N3O3
Molecular Weight1170.43 g/mol
Exact Mass1169.46
IUPAC Name15-(2-carbazol-9-ylphenyl)-12,18-bis(N-(9,9-dimethylfluoren-1-yl)anilino)-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaen-15-ol
SMILESCC1(C)c2ccccc2-c2cccc(N(c3ccccc3)c3cc4c(c5c3oc3ccccc35)-c3c(cc(N(c5ccccc5)c5cccc6c5C(C)(C)c5ccccc5-6)c5c3oc3ccccc35)C4(O)c3ccccc3-n3c4ccccc4c4ccccc43)c21
InChIInChI=1S/C85H59N3O3/c1-83(2)61-39-17-11-31-53(61)57-37-25-45-69(79(57)83)86(51-27-7-5-8-28-51)71-49-65-78(82-75(71)59-35-15-23-47-73(59)91-82)77-64(85(65,89)63-41-19-22-44-68(63)88-66-42-20-13-33-55(66)56-34-14-21-43-67(56)88)50-72(81-76(77)60-36-16-24-48-74(60)90-81)87(52-29-9-6-10-30-52)70-46-26-38-58-54-32-12-18-40-62(54)84(3,4)80(58)70/h5-50,89H,1-4H3
InChIKeyOWKRWMBFXWQYCR-UHFFFAOYSA-N
XLogP22.40
TPSA57.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms91
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001170.43
LogP ≤ 522.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 15-(2-carbazol-9-ylphenyl)-12,18-bis(N-(9,9-dimethylfluoren-1-yl)anilino)-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaen-15-ol with MolForge

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Related Compounds

18-N'-(9,9-dimethylfluoren-1-yl)-12-N'-[2-ethyl-3-(2-ethylphenyl)phenyl]-12-N',18-N'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,15'-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene]-12',18'-diamine
CID 138735734
12-N',18-N'-bis(4-tert-butylphenyl)-26',26'-dimethyl-12-N',18-N'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,15'-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene]-12',18'-diamine
CID 138735370
12-N',18-N'-bis(4-tert-butylphenyl)-12-N',18-N'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,15'-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene]-12',18'-diamine
CID 138735302
4-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-1-yl)dibenzofuran-3-amine
CID 176609885
3,3,34,34-tetramethyl-6-N,31-N-diphenyl-6-N,31-N-bis(2-phenylphenyl)-14,29-dioxanonacyclo[18.14.0.02,17.04,16.07,15.08,13.021,33.022,30.023,28]tetratriaconta-1(20),2(17),4,6,8,10,12,15,18,21,23,25,27,30,32-pentadecaene-6,31-diamine
CID 134561434
3,3,34,34-tetramethyl-6-N,6-N,31-N,31-N-tetraphenyl-8,29-dioxanonacyclo[18.14.0.02,17.04,16.07,15.09,14.021,33.022,30.023,28]tetratriaconta-1(20),2(17),4,6,9,11,13,15,18,21,23,25,27,30,32-pentadecaene-6,31-diamine
CID 134561487
3,3,34,34-tetramethyl-6-N,31-N-bis(2-methylphenyl)-6-N,31-N-diphenyl-14,23-dioxanonacyclo[18.14.0.02,17.04,16.07,15.08,13.021,33.022,30.024,29]tetratriaconta-1(20),2(17),4,6,8,10,12,15,18,21,24,26,28,30,32-pentadecaene-6,31-diamine
CID 134561328
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)-4-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine;N-(9,9-dimethylfluoren-1-yl)-4-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine;N-(9,9-dimethylfluoren-4-yl)-4-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 164965639
N-[4-(2-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-1-amine
CID 168789356
4-(4-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-1-yl)dibenzofuran-3-amine
CID 176609471
14,14-dimethyl-11-N,11-N-diphenyl-17-N-(2-phenylphenyl)-17-N-(18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-yl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15(20),16,18-nonaene-11,17-diamine
CID 164801342
15-N',21-N'-bis(2,4-dimethylphenyl)-13',13'-dimethyl-15-N',21-N'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,18'-23-oxaoctacyclo[15.14.0.02,14.03,12.06,11.019,31.022,30.024,29]hentriaconta-1,3(12),4,6,8,10,14,16,19,21,24,26,28,30-tetradecaene]-15',21'-diamine
CID 138735274

Frequently Asked Questions

What is the IUPAC name of 15-(2-carbazol-9-ylphenyl)-12,18-bis(N-(9,9-dimethylfluoren-1-yl)anilino)-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaen-15-ol?
The IUPAC name of 15-(2-carbazol-9-ylphenyl)-12,18-bis(N-(9,9-dimethylfluoren-1-yl)anilino)-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaen-15-ol (CID 138735296) is 15-(2-carbazol-9-ylphenyl)-12,18-bis(N-(9,9-dimethylfluoren-1-yl)anilino)-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaen-15-ol.
What is the SMILES notation for 15-(2-carbazol-9-ylphenyl)-12,18-bis(N-(9,9-dimethylfluoren-1-yl)anilino)-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaen-15-ol?
The canonical SMILES for 15-(2-carbazol-9-ylphenyl)-12,18-bis(N-(9,9-dimethylfluoren-1-yl)anilino)-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaen-15-ol is CC1(C)c2ccccc2-c2cccc(N(c3ccccc3)c3cc4c(c5c3oc3ccccc35)-c3c(cc(N(c5ccccc5)c5cccc6c5C(C)(C)c5ccccc5-6)c5c3oc3ccccc35)C4(O)c3ccccc3-n3c4ccccc4c4ccccc43)c21.
What is the InChIKey of 15-(2-carbazol-9-ylphenyl)-12,18-bis(N-(9,9-dimethylfluoren-1-yl)anilino)-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaen-15-ol?
The InChIKey is OWKRWMBFXWQYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H59N3O3/c1-83(2)61-39-17-11-31-53(61)57-37-25-45-69(79(57)83)86(51-27-7-5-8-28-51)71-49-65-78(82-75(71)59-35-15-23-47-73(59)91-82)77-64(85(65,89)63-41-19-22-44-68(63)88-66-42-20-13-33-55(66)56-34-14-21-43-67(56)88)50-72(81-76(77)60-36-16-24-48-74(60)90-81)87(52-29-9-6-10-30-52)70-46-26-38-58-54-32-12-18-40-62(54)84(3,4)80(58)70/h5-50,89H,1-4H3.
What are the key properties of 15-(2-carbazol-9-ylphenyl)-12,18-bis(N-(9,9-dimethylfluoren-1-yl)anilino)-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaen-15-ol?
15-(2-carbazol-9-ylphenyl)-12,18-bis(N-(9,9-dimethylfluoren-1-yl)anilino)-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaen-15-ol has a molecular weight of 1170.43 g/mol, XLogP of 22.40, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(2-carbazol-9-ylphenyl)-12,18-bis(N-(9,9-dimethylfluoren-1-yl)anilino)-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaen-15-ol is sourced from PubChem (CID 138735296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).