N-dibenzothiophen-1-yl-N-(9-phenylcarbazol-3-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine

C48H29N3O2S — CID 155428428

IUPACN-dibenzothiophen-1-yl-N-(9-phenylcarbazol-3-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine
SMILESc1ccc(-n2c3ccccc3c3cc(N(c4ccc5c(c4)Oc4cccc6c4N5c4ccccc4O6)c4cccc5sc6ccccc6c45)ccc32)cc1
InChIInChI=1S/C48H29N3O2S/c1-2-12-30(13-3-1)50-36-16-6-4-14-33(36)35-28-31(24-26-37(35)50)49(40-18-10-23-46-47(40)34-15-5-9-22-45(34)54-46)32-25-27-39-44(29-32)53-43-21-11-20-42-48(43)51(39)38-17-7-8-19-41(38)52-42/h1-29H
InChIKeyISWICPJKHIFBDH-UHFFFAOYSA-N
MW711.85 g/mol
LogP14.30
Rot. Bonds4

About N-dibenzothiophen-1-yl-N-(9-phenylcarbazol-3-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine

N-dibenzothiophen-1-yl-N-(9-phenylcarbazol-3-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine (PubChem CID 155428428) has the molecular formula C48H29N3O2S and a molecular weight of 711.85 g/mol. Its IUPAC name is N-dibenzothiophen-1-yl-N-(9-phenylcarbazol-3-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine.

Molecular Properties

Compound NameN-dibenzothiophen-1-yl-N-(9-phenylcarbazol-3-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine
PubChem CID155428428
Molecular FormulaC48H29N3O2S
Molecular Weight711.85 g/mol
Exact Mass711.20
IUPAC NameN-dibenzothiophen-1-yl-N-(9-phenylcarbazol-3-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine
SMILESc1ccc(-n2c3ccccc3c3cc(N(c4ccc5c(c4)Oc4cccc6c4N5c4ccccc4O6)c4cccc5sc6ccccc6c45)ccc32)cc1
InChIInChI=1S/C48H29N3O2S/c1-2-12-30(13-3-1)50-36-16-6-4-14-33(36)35-28-31(24-26-37(35)50)49(40-18-10-23-46-47(40)34-15-5-9-22-45(34)54-46)32-25-27-39-44(29-32)53-43-21-11-20-42-48(43)51(39)38-17-7-8-19-41(38)52-42/h1-29H
InChIKeyISWICPJKHIFBDH-UHFFFAOYSA-N
XLogP14.30
TPSA29.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.85
LogP ≤ 514.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-dibenzothiophen-1-yl-N-(9-phenylcarbazol-3-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine with MolForge

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Related Compounds

N-dibenzothiophen-1-yl-N-[3-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl)phenyl]-9-ethylcarbazol-3-amine
CID 155428355
N-chrysen-3-yl-N-dibenzothiophen-1-yl-9-phenylcarbazol-3-amine
CID 170138626
10-dibenzothiophen-3-yl-N-phenyl-N-(9-phenylcarbazol-2-yl)phenoxazin-3-amine
CID 164811785
N-dibenzofuran-2-yl-N-naphtho[2,1-b][1]benzothiol-4-yl-9-phenylcarbazol-3-amine
CID 170042216
N-dibenzothiophen-1-yl-N-naphtho[2,1-b][1]benzofuran-5-yl-9-phenylcarbazol-3-amine
CID 170034293
N-dibenzofuran-1-yl-N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenylcarbazol-3-amine
CID 170041496
N-dibenzothiophen-1-yl-9-phenyl-N-(9-phenylcarbazol-4-yl)carbazol-2-amine
CID 170286393
N-dibenzothiophen-1-yl-5-phenyl-N-(4-phenylphenyl)benzo[b]carbazol-2-amine
CID 163581433
N-dibenzothiophen-1-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-2-amine
CID 164794408
N-dibenzofuran-3-yl-N-naphtho[2,1-b][1]benzothiol-4-yl-9-phenylcarbazol-3-amine
CID 170042143
N-dibenzothiophen-1-yl-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-3-amine
CID 170298457
N-(9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15,17,19,23-undecaen-6-yl)-N,9-diphenylcarbazol-3-amine
CID 162475527

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-1-yl-N-(9-phenylcarbazol-3-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine?
The IUPAC name of N-dibenzothiophen-1-yl-N-(9-phenylcarbazol-3-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine (CID 155428428) is N-dibenzothiophen-1-yl-N-(9-phenylcarbazol-3-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine.
What is the SMILES notation for N-dibenzothiophen-1-yl-N-(9-phenylcarbazol-3-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine?
The canonical SMILES for N-dibenzothiophen-1-yl-N-(9-phenylcarbazol-3-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine is c1ccc(-n2c3ccccc3c3cc(N(c4ccc5c(c4)Oc4cccc6c4N5c4ccccc4O6)c4cccc5sc6ccccc6c45)ccc32)cc1.
What is the InChIKey of N-dibenzothiophen-1-yl-N-(9-phenylcarbazol-3-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine?
The InChIKey is ISWICPJKHIFBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29N3O2S/c1-2-12-30(13-3-1)50-36-16-6-4-14-33(36)35-28-31(24-26-37(35)50)49(40-18-10-23-46-47(40)34-15-5-9-22-45(34)54-46)32-25-27-39-44(29-32)53-43-21-11-20-42-48(43)51(39)38-17-7-8-19-41(38)52-42/h1-29H.
What are the key properties of N-dibenzothiophen-1-yl-N-(9-phenylcarbazol-3-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine?
N-dibenzothiophen-1-yl-N-(9-phenylcarbazol-3-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine has a molecular weight of 711.85 g/mol, XLogP of 14.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-1-yl-N-(9-phenylcarbazol-3-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine is sourced from PubChem (CID 155428428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).