5-[9-(4-phenanthren-3-ylphenanthro[9,10-d]pyrimidin-2-yl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene

C60H34N4 — CID 145243160

IUPAC5-[9-(4-phenanthren-3-ylphenanthro[9,10-d]pyrimidin-2-yl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
SMILESc1ccc2c(c1)ccc1ccc(-c3nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6cccc8c9ccccc9n7c86)ccc54)nc4c5ccccc5c5ccccc5c34)cc12
InChIInChI=1S/C60H34N4/c1-2-13-40-35(12-1)24-25-36-26-27-39(34-49(36)40)57-56-45-18-5-3-14-41(45)42-15-4-6-19-46(42)58(56)62-60(61-57)64-53-23-10-8-17-44(53)50-32-37(29-31-55(50)64)38-28-30-54-51(33-38)48-21-11-20-47-43-16-7-9-22-52(43)63(54)59(47)48/h1-34H
InChIKeyQONHOPXHTBISOZ-UHFFFAOYSA-N
MW810.96 g/mol
LogP15.82
Rot. Bonds3

About 5-[9-(4-phenanthren-3-ylphenanthro[9,10-d]pyrimidin-2-yl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene

5-[9-(4-phenanthren-3-ylphenanthro[9,10-d]pyrimidin-2-yl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene (PubChem CID 145243160) has the molecular formula C60H34N4 and a molecular weight of 810.96 g/mol. Its IUPAC name is 5-[9-(4-phenanthren-3-ylphenanthro[9,10-d]pyrimidin-2-yl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene.

Molecular Properties

Compound Name5-[9-(4-phenanthren-3-ylphenanthro[9,10-d]pyrimidin-2-yl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
PubChem CID145243160
Molecular FormulaC60H34N4
Molecular Weight810.96 g/mol
Exact Mass810.28
IUPAC Name5-[9-(4-phenanthren-3-ylphenanthro[9,10-d]pyrimidin-2-yl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
SMILESc1ccc2c(c1)ccc1ccc(-c3nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6cccc8c9ccccc9n7c86)ccc54)nc4c5ccccc5c5ccccc5c34)cc12
InChIInChI=1S/C60H34N4/c1-2-13-40-35(12-1)24-25-36-26-27-39(34-49(36)40)57-56-45-18-5-3-14-41(45)42-15-4-6-19-46(42)58(56)62-60(61-57)64-53-23-10-8-17-44(53)50-32-37(29-31-55(50)64)38-28-30-54-51(33-38)48-21-11-20-47-43-16-7-9-22-52(43)63(54)59(47)48/h1-34H
InChIKeyQONHOPXHTBISOZ-UHFFFAOYSA-N
XLogP15.82
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500810.96
LogP ≤ 515.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 5-[9-(4-phenanthren-3-ylphenanthro[9,10-d]pyrimidin-2-yl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene with MolForge

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Related Compounds

5-[9-(1-naphthalen-2-ylbenzo[f]quinazolin-3-yl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 145243136
5-[9-[4-(3-phenylphenyl)benzo[h]quinazolin-2-yl]carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 145243189
16-[2-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-20-azaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(31),2,4,6,8,10,12,14(19),15,17,21,23,25,27,29-pentadecaene
CID 168811690
13-(4-phenylbenzo[h]quinazolin-2-yl)-13,19-diazaoctacyclo[17.10.1.02,18.03,15.06,14.07,12.020,25.026,30]triaconta-1(29),2(18),3(15),4,6(14),7,9,11,16,20,22,24,26(30),27-tetradecaene
CID 134436025
26-[1-phenyl-5-(3-phenylphenyl)benzo[f]quinazolin-3-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene
CID 160537867
17-(9-phenylcarbazol-3-yl)-23-(4-phenylphenanthro[9,10-d]pyrimidin-2-yl)-23-azahexacyclo[18.2.1.05,22.06,15.07,12.016,21]tricosa-1,3,5(22),6(15),7,9,11,13,16,18,20-undecaene
CID 171044115
24-(3-phenanthren-9-ylphenyl)-20-azaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(31),2,4,6,8,10,12,14,16,18,21(26),22,24,27,29-pentadecaene
CID 139574671
24-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-32-thia-20-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.021,26.027,31]dotriaconta-1(31),2(7),3,5,8(13),9,11,14,16,18,21(26),22,24,27,29-pentadecaene
CID 139574866
2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline
CID 121402159
2-(3-naphthalen-2-ylcarbazol-9-yl)-4-phenylbenzo[h]quinazoline
CID 122497106
7-[4-(9-naphthalen-1-ylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole
CID 71109103
2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline
CID 121465327

Frequently Asked Questions

What is the IUPAC name of 5-[9-(4-phenanthren-3-ylphenanthro[9,10-d]pyrimidin-2-yl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene?
The IUPAC name of 5-[9-(4-phenanthren-3-ylphenanthro[9,10-d]pyrimidin-2-yl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene (CID 145243160) is 5-[9-(4-phenanthren-3-ylphenanthro[9,10-d]pyrimidin-2-yl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene.
What is the SMILES notation for 5-[9-(4-phenanthren-3-ylphenanthro[9,10-d]pyrimidin-2-yl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene?
The canonical SMILES for 5-[9-(4-phenanthren-3-ylphenanthro[9,10-d]pyrimidin-2-yl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene is c1ccc2c(c1)ccc1ccc(-c3nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6cccc8c9ccccc9n7c86)ccc54)nc4c5ccccc5c5ccccc5c34)cc12.
What is the InChIKey of 5-[9-(4-phenanthren-3-ylphenanthro[9,10-d]pyrimidin-2-yl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene?
The InChIKey is QONHOPXHTBISOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H34N4/c1-2-13-40-35(12-1)24-25-36-26-27-39(34-49(36)40)57-56-45-18-5-3-14-41(45)42-15-4-6-19-46(42)58(56)62-60(61-57)64-53-23-10-8-17-44(53)50-32-37(29-31-55(50)64)38-28-30-54-51(33-38)48-21-11-20-47-43-16-7-9-22-52(43)63(54)59(47)48/h1-34H.
What are the key properties of 5-[9-(4-phenanthren-3-ylphenanthro[9,10-d]pyrimidin-2-yl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene?
5-[9-(4-phenanthren-3-ylphenanthro[9,10-d]pyrimidin-2-yl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene has a molecular weight of 810.96 g/mol, XLogP of 15.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[9-(4-phenanthren-3-ylphenanthro[9,10-d]pyrimidin-2-yl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene is sourced from PubChem (CID 145243160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).