21-carbazol-9-yl-25-phenyl-2,16-dioxa-9,25-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3,5,7,10,12,14,17,19(24),20,22,26-dodecaene

C42H25N3O2 — CID 134559977

IUPAC21-carbazol-9-yl-25-phenyl-2,16-dioxa-9,25-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3,5,7,10,12,14,17,19(24),20,22,26-dodecaene
SMILESc1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3c4c5c(cc32)Oc2ccccc2N5c2ccccc2O4)cc1
InChIInChI=1S/C42H25N3O2/c1-2-12-26(13-3-1)43-33-23-22-27(44-31-16-6-4-14-28(31)29-15-5-7-17-32(29)44)24-30(33)40-36(43)25-39-41-42(40)47-38-21-11-9-19-35(38)45(41)34-18-8-10-20-37(34)46-39/h1-25H
InChIKeyDGYVLABBKAAGMO-UHFFFAOYSA-N
MW603.68 g/mol
LogP11.56
Rot. Bonds2

About 21-carbazol-9-yl-25-phenyl-2,16-dioxa-9,25-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3,5,7,10,12,14,17,19(24),20,22,26-dodecaene

21-carbazol-9-yl-25-phenyl-2,16-dioxa-9,25-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3,5,7,10,12,14,17,19(24),20,22,26-dodecaene (PubChem CID 134559977) has the molecular formula C42H25N3O2 and a molecular weight of 603.68 g/mol. Its IUPAC name is 21-carbazol-9-yl-25-phenyl-2,16-dioxa-9,25-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3,5,7,10,12,14,17,19(24),20,22,26-dodecaene.

Molecular Properties

Compound Name21-carbazol-9-yl-25-phenyl-2,16-dioxa-9,25-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3,5,7,10,12,14,17,19(24),20,22,26-dodecaene
PubChem CID134559977
Molecular FormulaC42H25N3O2
Molecular Weight603.68 g/mol
Exact Mass603.19
IUPAC Name21-carbazol-9-yl-25-phenyl-2,16-dioxa-9,25-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3,5,7,10,12,14,17,19(24),20,22,26-dodecaene
SMILESc1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3c4c5c(cc32)Oc2ccccc2N5c2ccccc2O4)cc1
InChIInChI=1S/C42H25N3O2/c1-2-12-26(13-3-1)43-33-23-22-27(44-31-16-6-4-14-28(31)29-15-5-7-17-32(29)44)24-30(33)40-36(43)25-39-41-42(40)47-38-21-11-9-19-35(38)45(41)34-18-8-10-20-37(34)46-39/h1-25H
InChIKeyDGYVLABBKAAGMO-UHFFFAOYSA-N
XLogP11.56
TPSA31.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.68
LogP ≤ 511.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 21-carbazol-9-yl-25-phenyl-2,16-dioxa-9,25-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3,5,7,10,12,14,17,19(24),20,22,26-dodecaene with MolForge

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Related Compounds

25-(3-phenylphenyl)-21-[9-(3-phenylphenyl)carbazol-3-yl]-2,16-dioxa-9,25-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3,5,7,10,12,14,17,19(24),20,22,26-dodecaene
CID 142357461
25-phenyl-21-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-2,16-dioxa-9,25-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3,5,7,10,12,14,17,19(24),20,22,26-dodecaene
CID 134559982
19-(3-phenylphenyl)-2,16-dioxa-9,19-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3,5,7,10,12,14,17,20,22,24,26-dodecaene
CID 134560221
11-[3-[9-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)carbazol-3-yl]carbazol-9-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;11-[3-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 158285187
25-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,16-dioxa-9,25-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3,5,7,10,12,14,17,19,21,23,26-dodecaene
CID 134559904
10-(4-phenoxazin-10-ylphenyl)-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 118442390
11-[3-phenyl-6-[9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 129289224
2,8-di(carbazol-9-yl)-10-phenylphenoxazine
CID 126612244
N-[4-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]-N-naphthalen-2-yl-9-phenylcarbazol-3-amine
CID 155428439
3-methyl-9-phenylcarbazole;9-(4-methylphenyl)carbazole;3-methyl-10-phenylphenoxazine;10-(4-methylphenyl)phenoxazine
CID 163970379
11-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;methane
CID 162033819
4,15-diphenyl-19,26-dioxa-4,15-diazaheptacyclo[14.12.0.02,14.03,11.05,10.018,27.020,25]octacosa-1(28),2(14),3(11),5,7,9,12,16,18(27),20,22,24-dodecaene
CID 145390349

Frequently Asked Questions

What is the IUPAC name of 21-carbazol-9-yl-25-phenyl-2,16-dioxa-9,25-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3,5,7,10,12,14,17,19(24),20,22,26-dodecaene?
The IUPAC name of 21-carbazol-9-yl-25-phenyl-2,16-dioxa-9,25-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3,5,7,10,12,14,17,19(24),20,22,26-dodecaene (CID 134559977) is 21-carbazol-9-yl-25-phenyl-2,16-dioxa-9,25-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3,5,7,10,12,14,17,19(24),20,22,26-dodecaene.
What is the SMILES notation for 21-carbazol-9-yl-25-phenyl-2,16-dioxa-9,25-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3,5,7,10,12,14,17,19(24),20,22,26-dodecaene?
The canonical SMILES for 21-carbazol-9-yl-25-phenyl-2,16-dioxa-9,25-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3,5,7,10,12,14,17,19(24),20,22,26-dodecaene is c1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3c4c5c(cc32)Oc2ccccc2N5c2ccccc2O4)cc1.
What is the InChIKey of 21-carbazol-9-yl-25-phenyl-2,16-dioxa-9,25-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3,5,7,10,12,14,17,19(24),20,22,26-dodecaene?
The InChIKey is DGYVLABBKAAGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25N3O2/c1-2-12-26(13-3-1)43-33-23-22-27(44-31-16-6-4-14-28(31)29-15-5-7-17-32(29)44)24-30(33)40-36(43)25-39-41-42(40)47-38-21-11-9-19-35(38)45(41)34-18-8-10-20-37(34)46-39/h1-25H.
What are the key properties of 21-carbazol-9-yl-25-phenyl-2,16-dioxa-9,25-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3,5,7,10,12,14,17,19(24),20,22,26-dodecaene?
21-carbazol-9-yl-25-phenyl-2,16-dioxa-9,25-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3,5,7,10,12,14,17,19(24),20,22,26-dodecaene has a molecular weight of 603.68 g/mol, XLogP of 11.56, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 21-carbazol-9-yl-25-phenyl-2,16-dioxa-9,25-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3,5,7,10,12,14,17,19(24),20,22,26-dodecaene is sourced from PubChem (CID 134559977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).