4-carbazol-9-yl-10-[9-[11-[9-(17-carbazol-9-yl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl)carbazol-3-yl]-17-phenyl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaen-4-yl]carbazol-3-yl]-17-naphthalen-2-yl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaene

C106H58N16 — CID 139484129

IUPAC4-carbazol-9-yl-10-[9-[11-[9-(17-carbazol-9-yl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl)carbazol-3-yl]-17-phenyl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaen-4-yl]carbazol-3-yl]-17-naphthalen-2-yl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaene
SMILESc1ccc(-c2ncc3c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ncc6c7ccccc7c7cnc(-n8c9ccccc9c9ccccc98)nc7c6n5)ccc4c4cnc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7cnc(-n9c%10ccccc%10c%10ccccc%109)nc7c7nc(-c9ccc%10ccccc%10c9)ncc87)ccc65)nc4c3n2)cc1
InChIInChI=1S/C106H58N16/c1-2-21-60(22-3-1)101-107-54-85-77-49-62(64-42-47-94-80(51-64)76-31-13-19-37-92(76)122(94)106-110-56-83-68-25-7-6-24-67(68)82-55-109-103(116-98(82)99(83)117-106)119-87-32-14-8-26-71(87)72-27-9-15-33-88(72)119)41-45-70(77)84-57-111-105(115-97(84)96(85)113-101)121-91-36-18-12-30-75(91)79-52-65(43-46-93(79)121)63-40-44-69-78(50-63)86-58-112-104(120-89-34-16-10-28-73(89)74-29-11-17-35-90(74)120)118-100(86)95-81(69)53-108-102(114-95)66-39-38-59-20-4-5-23-61(59)48-66/h1-58H
InChIKeyHIOKWQIKYAPCJQ-UHFFFAOYSA-N
MW1555.74 g/mol
LogP25.01
Rot. Bonds8

About 4-carbazol-9-yl-10-[9-[11-[9-(17-carbazol-9-yl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl)carbazol-3-yl]-17-phenyl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaen-4-yl]carbazol-3-yl]-17-naphthalen-2-yl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaene

4-carbazol-9-yl-10-[9-[11-[9-(17-carbazol-9-yl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl)carbazol-3-yl]-17-phenyl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaen-4-yl]carbazol-3-yl]-17-naphthalen-2-yl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaene (PubChem CID 139484129) has the molecular formula C106H58N16 and a molecular weight of 1555.74 g/mol. Its IUPAC name is 4-carbazol-9-yl-10-[9-[11-[9-(17-carbazol-9-yl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl)carbazol-3-yl]-17-phenyl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaen-4-yl]carbazol-3-yl]-17-naphthalen-2-yl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaene.

Molecular Properties

Compound Name4-carbazol-9-yl-10-[9-[11-[9-(17-carbazol-9-yl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl)carbazol-3-yl]-17-phenyl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaen-4-yl]carbazol-3-yl]-17-naphthalen-2-yl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaene
PubChem CID139484129
Molecular FormulaC106H58N16
Molecular Weight1555.74 g/mol
Exact Mass1554.50
IUPAC Name4-carbazol-9-yl-10-[9-[11-[9-(17-carbazol-9-yl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl)carbazol-3-yl]-17-phenyl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaen-4-yl]carbazol-3-yl]-17-naphthalen-2-yl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaene
SMILESc1ccc(-c2ncc3c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ncc6c7ccccc7c7cnc(-n8c9ccccc9c9ccccc98)nc7c6n5)ccc4c4cnc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7cnc(-n9c%10ccccc%10c%10ccccc%109)nc7c7nc(-c9ccc%10ccccc%10c9)ncc87)ccc65)nc4c3n2)cc1
InChIInChI=1S/C106H58N16/c1-2-21-60(22-3-1)101-107-54-85-77-49-62(64-42-47-94-80(51-64)76-31-13-19-37-92(76)122(94)106-110-56-83-68-25-7-6-24-67(68)82-55-109-103(116-98(82)99(83)117-106)119-87-32-14-8-26-71(87)72-27-9-15-33-88(72)119)41-45-70(77)84-57-111-105(115-97(84)96(85)113-101)121-91-36-18-12-30-75(91)79-52-65(43-46-93(79)121)63-40-44-69-78(50-63)86-58-112-104(120-89-34-16-10-28-73(89)74-29-11-17-35-90(74)120)118-100(86)95-81(69)53-108-102(114-95)66-39-38-59-20-4-5-23-61(59)48-66/h1-58H
InChIKeyHIOKWQIKYAPCJQ-UHFFFAOYSA-N
XLogP25.01
TPSA174.40 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds8
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001555.74
LogP ≤ 525.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 4-carbazol-9-yl-10-[9-[11-[9-(17-carbazol-9-yl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl)carbazol-3-yl]-17-phenyl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaen-4-yl]carbazol-3-yl]-17-naphthalen-2-yl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-carbazol-9-yl-10-[9-[11-[9-(17-carbazol-9-yl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl)carbazol-3-yl]-17-phenyl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaen-4-yl]carbazol-3-yl]-17-naphthalen-2-yl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaene?
The IUPAC name of 4-carbazol-9-yl-10-[9-[11-[9-(17-carbazol-9-yl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl)carbazol-3-yl]-17-phenyl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaen-4-yl]carbazol-3-yl]-17-naphthalen-2-yl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaene (CID 139484129) is 4-carbazol-9-yl-10-[9-[11-[9-(17-carbazol-9-yl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl)carbazol-3-yl]-17-phenyl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaen-4-yl]carbazol-3-yl]-17-naphthalen-2-yl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaene.
What is the SMILES notation for 4-carbazol-9-yl-10-[9-[11-[9-(17-carbazol-9-yl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl)carbazol-3-yl]-17-phenyl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaen-4-yl]carbazol-3-yl]-17-naphthalen-2-yl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaene?
The canonical SMILES for 4-carbazol-9-yl-10-[9-[11-[9-(17-carbazol-9-yl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl)carbazol-3-yl]-17-phenyl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaen-4-yl]carbazol-3-yl]-17-naphthalen-2-yl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaene is c1ccc(-c2ncc3c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ncc6c7ccccc7c7cnc(-n8c9ccccc9c9ccccc98)nc7c6n5)ccc4c4cnc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7cnc(-n9c%10ccccc%10c%10ccccc%109)nc7c7nc(-c9ccc%10ccccc%10c9)ncc87)ccc65)nc4c3n2)cc1.
What is the InChIKey of 4-carbazol-9-yl-10-[9-[11-[9-(17-carbazol-9-yl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl)carbazol-3-yl]-17-phenyl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaen-4-yl]carbazol-3-yl]-17-naphthalen-2-yl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaene?
The InChIKey is HIOKWQIKYAPCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C106H58N16/c1-2-21-60(22-3-1)101-107-54-85-77-49-62(64-42-47-94-80(51-64)76-31-13-19-37-92(76)122(94)106-110-56-83-68-25-7-6-24-67(68)82-55-109-103(116-98(82)99(83)117-106)119-87-32-14-8-26-71(87)72-27-9-15-33-88(72)119)41-45-70(77)84-57-111-105(115-97(84)96(85)113-101)121-91-36-18-12-30-75(91)79-52-65(43-46-93(79)121)63-40-44-69-78(50-63)86-58-112-104(120-89-34-16-10-28-73(89)74-29-11-17-35-90(74)120)118-100(86)95-81(69)53-108-102(114-95)66-39-38-59-20-4-5-23-61(59)48-66/h1-58H.
What are the key properties of 4-carbazol-9-yl-10-[9-[11-[9-(17-carbazol-9-yl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl)carbazol-3-yl]-17-phenyl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaen-4-yl]carbazol-3-yl]-17-naphthalen-2-yl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaene?
4-carbazol-9-yl-10-[9-[11-[9-(17-carbazol-9-yl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl)carbazol-3-yl]-17-phenyl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaen-4-yl]carbazol-3-yl]-17-naphthalen-2-yl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaene has a molecular weight of 1555.74 g/mol, XLogP of 25.01, 8 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbazol-9-yl-10-[9-[11-[9-(17-carbazol-9-yl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl)carbazol-3-yl]-17-phenyl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaen-4-yl]carbazol-3-yl]-17-naphthalen-2-yl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaene is sourced from PubChem (CID 139484129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).