25-(9-phenylcarbazol-3-yl)-14-oxa-25-azahexacyclo[13.11.0.02,7.08,13.018,26.019,24]hexacosa-1(15),2,4,6,8,10,12,16,18(26),20,22-undecaene

C42H28N2O — CID 129306290

IUPAC25-(9-phenylcarbazol-3-yl)-14-oxa-25-azahexacyclo[13.11.0.02,7.08,13.018,26.019,24]hexacosa-1(15),2,4,6,8,10,12,16,18(26),20,22-undecaene
SMILESC1=CC2c3ccc4c(c3N(c3ccc5c(c3)c3ccccc3n5-c3ccccc3)C2C=C1)-c1ccccc1-c1ccccc1O4
InChIInChI=1S/C42H28N2O/c1-2-12-27(13-3-1)43-36-19-9-7-16-31(36)35-26-28(22-24-38(35)43)44-37-20-10-6-15-30(37)34-23-25-40-41(42(34)44)33-18-5-4-14-29(33)32-17-8-11-21-39(32)45-40/h1-26,30,37H
InChIKeySPJVMXQFCGSAEJ-UHFFFAOYSA-N
MW576.70 g/mol
LogP10.95
Rot. Bonds2

About 25-(9-phenylcarbazol-3-yl)-14-oxa-25-azahexacyclo[13.11.0.02,7.08,13.018,26.019,24]hexacosa-1(15),2,4,6,8,10,12,16,18(26),20,22-undecaene

25-(9-phenylcarbazol-3-yl)-14-oxa-25-azahexacyclo[13.11.0.02,7.08,13.018,26.019,24]hexacosa-1(15),2,4,6,8,10,12,16,18(26),20,22-undecaene (PubChem CID 129306290) has the molecular formula C42H28N2O and a molecular weight of 576.70 g/mol. Its IUPAC name is 25-(9-phenylcarbazol-3-yl)-14-oxa-25-azahexacyclo[13.11.0.02,7.08,13.018,26.019,24]hexacosa-1(15),2,4,6,8,10,12,16,18(26),20,22-undecaene.

Molecular Properties

Compound Name25-(9-phenylcarbazol-3-yl)-14-oxa-25-azahexacyclo[13.11.0.02,7.08,13.018,26.019,24]hexacosa-1(15),2,4,6,8,10,12,16,18(26),20,22-undecaene
PubChem CID129306290
Molecular FormulaC42H28N2O
Molecular Weight576.70 g/mol
Exact Mass576.22
IUPAC Name25-(9-phenylcarbazol-3-yl)-14-oxa-25-azahexacyclo[13.11.0.02,7.08,13.018,26.019,24]hexacosa-1(15),2,4,6,8,10,12,16,18(26),20,22-undecaene
SMILESC1=CC2c3ccc4c(c3N(c3ccc5c(c3)c3ccccc3n5-c3ccccc3)C2C=C1)-c1ccccc1-c1ccccc1O4
InChIInChI=1S/C42H28N2O/c1-2-12-27(13-3-1)43-36-19-9-7-16-31(36)35-26-28(22-24-38(35)43)44-37-20-10-6-15-30(37)34-23-25-40-41(42(34)44)33-18-5-4-14-29(33)32-17-8-11-21-39(32)45-40/h1-26,30,37H
InChIKeySPJVMXQFCGSAEJ-UHFFFAOYSA-N
XLogP10.95
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.70
LogP ≤ 510.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 25-(9-phenylcarbazol-3-yl)-14-oxa-25-azahexacyclo[13.11.0.02,7.08,13.018,26.019,24]hexacosa-1(15),2,4,6,8,10,12,16,18(26),20,22-undecaene with MolForge

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Related Compounds

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CID 118312808
9-phenyl-3-[9-(4-phenylphenyl)-4b,8a-dihydrocarbazol-2-yl]carbazole
CID 156557997
11-[4-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-12-phenyl-4a,12a-dihydroindolo[2,3-a]carbazole
CID 170532788
3-[9-(3-phenylphenyl)-4b,8a-dihydrocarbazol-3-yl]-9-triphenylen-2-ylcarbazole
CID 145339560
3-(9-phenyl-4b,8a-dihydrocarbazol-2-yl)-9-(4-phenylphenyl)carbazole;3-(9-phenylcarbazol-2-yl)-9-(3-phenylphenyl)carbazole;9-(3-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(3-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-2-yl]carbazole;9-(4-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 165068663
5,11-bis(3-carbazol-9-ylphenyl)-4a,12b-dihydroindolo[3,2-b]carbazole
CID 170205828
9-(3-phenylphenyl)-3-[9-[4-(4-phenylphenyl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 170079369
12-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole
CID 123460055
2-(4a,9a-dihydrocarbazol-9-yl)-9-carbazol-9-yl-12-dibenzofuran-2-yl-5-phenylindolo[3,2-c]carbazole
CID 71059003
N,N-bis(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-yl)-9-phenylcarbazol-3-amine
CID 134271622
9-(26-oxahexacyclo[25.4.0.02,7.08,13.014,19.020,25]hentriaconta-1(31),2,4,6,8,10,12,14,16,18,20(25),21,23,27,29-pentadecaen-22-yl)carbazole;9-(26-oxahexacyclo[25.4.0.02,7.08,13.014,19.020,25]hentriaconta-1(31),2,4,6,8(13),9,11,14,16,18,20,22,24,27,29-pentadecaen-10-yl)carbazole;9-(26-oxahexacyclo[25.4.0.02,7.08,13.014,19.020,25]hentriaconta-1(31),2(7),3,5,8,10,12,14,16,18,20,22,24,27,29-pentadecaen-4-yl)carbazole;9-(26-oxahexacyclo[25.4.0.02,7.08,13.014,19.020,25]hentriaconta-1(31),2(7),3,5,8,10,12,14,16,18,20,22,24,27,29-pentadecaen-5-yl)carbazole
CID 165082856

Frequently Asked Questions

What is the IUPAC name of 25-(9-phenylcarbazol-3-yl)-14-oxa-25-azahexacyclo[13.11.0.02,7.08,13.018,26.019,24]hexacosa-1(15),2,4,6,8,10,12,16,18(26),20,22-undecaene?
The IUPAC name of 25-(9-phenylcarbazol-3-yl)-14-oxa-25-azahexacyclo[13.11.0.02,7.08,13.018,26.019,24]hexacosa-1(15),2,4,6,8,10,12,16,18(26),20,22-undecaene (CID 129306290) is 25-(9-phenylcarbazol-3-yl)-14-oxa-25-azahexacyclo[13.11.0.02,7.08,13.018,26.019,24]hexacosa-1(15),2,4,6,8,10,12,16,18(26),20,22-undecaene.
What is the SMILES notation for 25-(9-phenylcarbazol-3-yl)-14-oxa-25-azahexacyclo[13.11.0.02,7.08,13.018,26.019,24]hexacosa-1(15),2,4,6,8,10,12,16,18(26),20,22-undecaene?
The canonical SMILES for 25-(9-phenylcarbazol-3-yl)-14-oxa-25-azahexacyclo[13.11.0.02,7.08,13.018,26.019,24]hexacosa-1(15),2,4,6,8,10,12,16,18(26),20,22-undecaene is C1=CC2c3ccc4c(c3N(c3ccc5c(c3)c3ccccc3n5-c3ccccc3)C2C=C1)-c1ccccc1-c1ccccc1O4.
What is the InChIKey of 25-(9-phenylcarbazol-3-yl)-14-oxa-25-azahexacyclo[13.11.0.02,7.08,13.018,26.019,24]hexacosa-1(15),2,4,6,8,10,12,16,18(26),20,22-undecaene?
The InChIKey is SPJVMXQFCGSAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N2O/c1-2-12-27(13-3-1)43-36-19-9-7-16-31(36)35-26-28(22-24-38(35)43)44-37-20-10-6-15-30(37)34-23-25-40-41(42(34)44)33-18-5-4-14-29(33)32-17-8-11-21-39(32)45-40/h1-26,30,37H.
What are the key properties of 25-(9-phenylcarbazol-3-yl)-14-oxa-25-azahexacyclo[13.11.0.02,7.08,13.018,26.019,24]hexacosa-1(15),2,4,6,8,10,12,16,18(26),20,22-undecaene?
25-(9-phenylcarbazol-3-yl)-14-oxa-25-azahexacyclo[13.11.0.02,7.08,13.018,26.019,24]hexacosa-1(15),2,4,6,8,10,12,16,18(26),20,22-undecaene has a molecular weight of 576.70 g/mol, XLogP of 10.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 25-(9-phenylcarbazol-3-yl)-14-oxa-25-azahexacyclo[13.11.0.02,7.08,13.018,26.019,24]hexacosa-1(15),2,4,6,8,10,12,16,18(26),20,22-undecaene is sourced from PubChem (CID 129306290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).