7-N,17-N-bis(9-phenylcarbazol-4-yl)-7-N,17-N-bis(4-propan-2-ylphenyl)-10,14-dioxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene-7,17-diamine

C71H53N5O2 — CID 163796667

IUPAC7-N,17-N-bis(9-phenylcarbazol-4-yl)-7-N,17-N-bis(4-propan-2-ylphenyl)-10,14-dioxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene-7,17-diamine
SMILESCC(C)c1ccc(N(c2ccc3c(c2)oc2nc4oc5cc(N(c6ccc(C(C)C)cc6)c6cccc7c6c6ccccc6n7-c6ccccc6)ccc5c4cc23)c2cccc3c2c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C71H53N5O2/c1-44(2)46-29-33-50(34-30-46)73(62-25-15-27-64-68(62)56-21-11-13-23-60(56)75(64)48-17-7-5-8-18-48)52-37-39-54-58-43-59-55-40-38-53(42-67(55)78-71(59)72-70(58)77-66(54)41-52)74(51-35-31-47(32-36-51)45(3)4)63-26-16-28-65-69(63)57-22-12-14-24-61(57)76(65)49-19-9-6-10-20-49/h5-45H,1-4H3
InChIKeyNBKDLDFNTUZHNN-UHFFFAOYSA-N
MW1008.24 g/mol
LogP20.26
Rot. Bonds10

About 7-N,17-N-bis(9-phenylcarbazol-4-yl)-7-N,17-N-bis(4-propan-2-ylphenyl)-10,14-dioxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene-7,17-diamine

7-N,17-N-bis(9-phenylcarbazol-4-yl)-7-N,17-N-bis(4-propan-2-ylphenyl)-10,14-dioxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene-7,17-diamine (PubChem CID 163796667) has the molecular formula C71H53N5O2 and a molecular weight of 1008.24 g/mol. Its IUPAC name is 7-N,17-N-bis(9-phenylcarbazol-4-yl)-7-N,17-N-bis(4-propan-2-ylphenyl)-10,14-dioxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene-7,17-diamine.

Molecular Properties

Compound Name7-N,17-N-bis(9-phenylcarbazol-4-yl)-7-N,17-N-bis(4-propan-2-ylphenyl)-10,14-dioxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene-7,17-diamine
PubChem CID163796667
Molecular FormulaC71H53N5O2
Molecular Weight1008.24 g/mol
Exact Mass1007.42
IUPAC Name7-N,17-N-bis(9-phenylcarbazol-4-yl)-7-N,17-N-bis(4-propan-2-ylphenyl)-10,14-dioxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene-7,17-diamine
SMILESCC(C)c1ccc(N(c2ccc3c(c2)oc2nc4oc5cc(N(c6ccc(C(C)C)cc6)c6cccc7c6c6ccccc6n7-c6ccccc6)ccc5c4cc23)c2cccc3c2c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C71H53N5O2/c1-44(2)46-29-33-50(34-30-46)73(62-25-15-27-64-68(62)56-21-11-13-23-60(56)75(64)48-17-7-5-8-18-48)52-37-39-54-58-43-59-55-40-38-53(42-67(55)78-71(59)72-70(58)77-66(54)41-52)74(51-35-31-47(32-36-51)45(3)4)63-26-16-28-65-69(63)57-22-12-14-24-61(57)76(65)49-19-9-6-10-20-49/h5-45H,1-4H3
InChIKeyNBKDLDFNTUZHNN-UHFFFAOYSA-N
XLogP20.26
TPSA55.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001008.24
LogP ≤ 520.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-N,17-N-bis(9-phenylcarbazol-4-yl)-7-N,17-N-bis(4-propan-2-ylphenyl)-10,14-dioxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene-7,17-diamine with MolForge

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Related Compounds

11-N,21-N-bis(9-phenylcarbazol-3-yl)-11-N,21-N-bis(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine
CID 155360847
6-N,18-N-bis[9-(3-tert-butylphenyl)carbazol-3-yl]-6-N,18-N-diphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-bis[9-(4-tert-butylphenyl)carbazol-2-yl]-6-N,18-N-diphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-diphenyl-6-N,18-N-bis[9-(3-propan-2-ylphenyl)carbazol-4-yl]-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-diphenyl-6-N,18-N-bis[9-(4-propan-2-ylphenyl)carbazol-1-yl]-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine
CID 159601904
2-phenyl-N-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine
CID 167123428
N-dibenzofuran-3-yl-2-phenyl-N-(9-phenylcarbazol-4-yl)-[1]benzofuro[3,2-f][1,3]benzoxazol-7-amine
CID 167128284
9-N,23-N-bis(9-phenylcarbazol-3-yl)-9-N,23-N-bis(4-propan-2-ylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine
CID 155359528
11-N,21-N-bis(9-methylcarbazol-3-yl)-11-N,21-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine;11-N,21-N-bis(9-phenylcarbazol-3-yl)-11-N,21-N-bis(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine;11-N,21-N-diphenyl-11-N,21-N-bis(9-phenylcarbazol-3-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine
CID 158694655
N-dibenzofuran-3-yl-N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenylcarbazol-4-amine
CID 170041410
N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-dibenzofuran-2-yl-9-phenylcarbazol-3-amine;N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-dibenzofuran-3-yl-9-phenylcarbazol-3-amine;N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine
CID 158758153
N-[4-(9-methylcarbazol-2-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine
CID 177077786
7-N,17-N-di(dibenzothiophen-4-yl)-7-N,17-N-diphenyl-10,14-dioxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene-7,17-diamine
CID 163985354
N-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine
CID 174258250
N-dibenzofuran-3-yl-N-dibenzofuran-4-yl-5-phenylbenzo[b]carbazol-1-amine
CID 163896520

Frequently Asked Questions

What is the IUPAC name of 7-N,17-N-bis(9-phenylcarbazol-4-yl)-7-N,17-N-bis(4-propan-2-ylphenyl)-10,14-dioxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene-7,17-diamine?
The IUPAC name of 7-N,17-N-bis(9-phenylcarbazol-4-yl)-7-N,17-N-bis(4-propan-2-ylphenyl)-10,14-dioxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene-7,17-diamine (CID 163796667) is 7-N,17-N-bis(9-phenylcarbazol-4-yl)-7-N,17-N-bis(4-propan-2-ylphenyl)-10,14-dioxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene-7,17-diamine.
What is the SMILES notation for 7-N,17-N-bis(9-phenylcarbazol-4-yl)-7-N,17-N-bis(4-propan-2-ylphenyl)-10,14-dioxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene-7,17-diamine?
The canonical SMILES for 7-N,17-N-bis(9-phenylcarbazol-4-yl)-7-N,17-N-bis(4-propan-2-ylphenyl)-10,14-dioxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene-7,17-diamine is CC(C)c1ccc(N(c2ccc3c(c2)oc2nc4oc5cc(N(c6ccc(C(C)C)cc6)c6cccc7c6c6ccccc6n7-c6ccccc6)ccc5c4cc23)c2cccc3c2c2ccccc2n3-c2ccccc2)cc1.
What is the InChIKey of 7-N,17-N-bis(9-phenylcarbazol-4-yl)-7-N,17-N-bis(4-propan-2-ylphenyl)-10,14-dioxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene-7,17-diamine?
The InChIKey is NBKDLDFNTUZHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H53N5O2/c1-44(2)46-29-33-50(34-30-46)73(62-25-15-27-64-68(62)56-21-11-13-23-60(56)75(64)48-17-7-5-8-18-48)52-37-39-54-58-43-59-55-40-38-53(42-67(55)78-71(59)72-70(58)77-66(54)41-52)74(51-35-31-47(32-36-51)45(3)4)63-26-16-28-65-69(63)57-22-12-14-24-61(57)76(65)49-19-9-6-10-20-49/h5-45H,1-4H3.
What are the key properties of 7-N,17-N-bis(9-phenylcarbazol-4-yl)-7-N,17-N-bis(4-propan-2-ylphenyl)-10,14-dioxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene-7,17-diamine?
7-N,17-N-bis(9-phenylcarbazol-4-yl)-7-N,17-N-bis(4-propan-2-ylphenyl)-10,14-dioxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene-7,17-diamine has a molecular weight of 1008.24 g/mol, XLogP of 20.26, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N,17-N-bis(9-phenylcarbazol-4-yl)-7-N,17-N-bis(4-propan-2-ylphenyl)-10,14-dioxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene-7,17-diamine is sourced from PubChem (CID 163796667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).