benzo[c]carbazol-7-yl-[2-(8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene-17-carboximidoyl)phenyl]methanimine

C48H29N5 — CID 134403605

About benzo[c]carbazol-7-yl-[2-(8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene-17-carboximidoyl)phenyl]methanimine

benzo[c]carbazol-7-yl-[2-(8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene-17-carboximidoyl)phenyl]methanimine (PubChem CID 134403605) has the molecular formula C48H29N5 and a molecular weight of 675.80 g/mol. Its IUPAC name is benzo[c]carbazol-7-yl-[2-(8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene-17-carboximidoyl)phenyl]methanimine.

Molecular Properties

• Compound Name: benzo[c]carbazol-7-yl-[2-(8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene-17-carboximidoyl)phenyl]methanimine
• PubChem CID: 134403605
• Molecular Formula: C48H29N5
• Molecular Weight: 675.80 g/mol
• Exact Mass: 675.24
• IUPAC Name: benzo[c]carbazol-7-yl-[2-(8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene-17-carboximidoyl)phenyl]methanimine
• SMILES: [H]/N=C(/c1ccccc1/C(=N/[H])n1c2ccccc2c2cc3c4ccccc4n4c5ccccc5c(c21)c34)n1c2ccccc2c2c3ccccc3ccc21
• InChI: InChI=1S/C48H29N5/c49-47(52-41-24-12-7-19-34(41)43-29-14-2-1-13-28(29)25-26-42(43)52)32-17-3-4-18-33(32)48(50)53-39-22-10-6-16-31(39)37-27-36-30-15-5-9-21-38(30)51-40-23-11-8-20-35(40)44(45(36)51)46(37)53/h1-27,49-50H/b49-47-,50-48-
• InChIKey: PXDCZJRAHDPODX-ZLUQSPMJSA-N
• XLogP: 11.95
• TPSA: 61.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	675.80
LogP ≤ 5	11.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzo[c]carbazol-7-yl-[2-(8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene-17-carboximidoyl)phenyl]methanimine?

The IUPAC name of benzo[c]carbazol-7-yl-[2-(8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene-17-carboximidoyl)phenyl]methanimine (CID 134403605) is benzo[c]carbazol-7-yl-[2-(8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene-17-carboximidoyl)phenyl]methanimine.

What is the SMILES notation for benzo[c]carbazol-7-yl-[2-(8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene-17-carboximidoyl)phenyl]methanimine?

The canonical SMILES for benzo[c]carbazol-7-yl-[2-(8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene-17-carboximidoyl)phenyl]methanimine is [H]/N=C(/c1ccccc1/C(=N/[H])n1c2ccccc2c2cc3c4ccccc4n4c5ccccc5c(c21)c34)n1c2ccccc2c2c3ccccc3ccc21.

What is the InChIKey of benzo[c]carbazol-7-yl-[2-(8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene-17-carboximidoyl)phenyl]methanimine?

The InChIKey is PXDCZJRAHDPODX-ZLUQSPMJSA-N. The full InChI is InChI=1S/C48H29N5/c49-47(52-41-24-12-7-19-34(41)43-29-14-2-1-13-28(29)25-26-42(43)52)32-17-3-4-18-33(32)48(50)53-39-22-10-6-16-31(39)37-27-36-30-15-5-9-21-38(30)51-40-23-11-8-20-35(40)44(45(36)51)46(37)53/h1-27,49-50H/b49-47-,50-48-.

What are the key properties of benzo[c]carbazol-7-yl-[2-(8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene-17-carboximidoyl)phenyl]methanimine?

benzo[c]carbazol-7-yl-[2-(8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene-17-carboximidoyl)phenyl]methanimine has a molecular weight of 675.80 g/mol, XLogP of 11.95, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for benzo[c]carbazol-7-yl-[2-(8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene-17-carboximidoyl)phenyl]methanimine is sourced from PubChem (CID 134403605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).