7-(6,6a,10a,11-tetrahydrobenzo[b]carbazol-5-yl)-2-benzo[b]carbazol-5-yl-5',11'-bis(trifluoromethyl)spiro[1,9a-dihydrofluorene-9,8'-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene]

C57H36F6N4 — CID 163775033

IUPAC7-(6,6a,10a,11-tetrahydrobenzo[b]carbazol-5-yl)-2-benzo[b]carbazol-5-yl-5',11'-bis(trifluoromethyl)spiro[1,9a-dihydrofluorene-9,8'-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene]
SMILESFC(F)(F)c1cnc2c(c1)C1(c3cc(-n4c5c(c6ccccc64)CC4C=CC=CC4C5)ccc3C3=CC=C(n4c5ccccc5c5cc6ccccc6cc54)CC31)c1cc(C(F)(F)F)cnc1-2
InChIInChI=1S/C57H36F6N4/c58-56(59,60)35-25-47-53(64-29-35)54-48(26-36(30-65-54)57(61,62)63)55(47)45-27-37(66-49-15-7-5-13-41(49)43-21-31-9-1-3-11-33(31)23-51(43)66)17-19-39(45)40-20-18-38(28-46(40)55)67-50-16-8-6-14-42(50)44-22-32-10-2-4-12-34(32)24-52(44)67/h1-21,23,25-26,28-30,32,34,45H,22,24,27H2
InChIKeyMJRQWQHPZJEVPD-UHFFFAOYSA-N
MW890.93 g/mol
LogP14.45
Rot. Bonds2

About 7-(6,6a,10a,11-tetrahydrobenzo[b]carbazol-5-yl)-2-benzo[b]carbazol-5-yl-5',11'-bis(trifluoromethyl)spiro[1,9a-dihydrofluorene-9,8'-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene]

7-(6,6a,10a,11-tetrahydrobenzo[b]carbazol-5-yl)-2-benzo[b]carbazol-5-yl-5',11'-bis(trifluoromethyl)spiro[1,9a-dihydrofluorene-9,8'-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene] (PubChem CID 163775033) has the molecular formula C57H36F6N4 and a molecular weight of 890.93 g/mol. Its IUPAC name is 7-(6,6a,10a,11-tetrahydrobenzo[b]carbazol-5-yl)-2-benzo[b]carbazol-5-yl-5',11'-bis(trifluoromethyl)spiro[1,9a-dihydrofluorene-9,8'-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene].

Molecular Properties

Compound Name7-(6,6a,10a,11-tetrahydrobenzo[b]carbazol-5-yl)-2-benzo[b]carbazol-5-yl-5',11'-bis(trifluoromethyl)spiro[1,9a-dihydrofluorene-9,8'-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene]
PubChem CID163775033
Molecular FormulaC57H36F6N4
Molecular Weight890.93 g/mol
Exact Mass890.28
IUPAC Name7-(6,6a,10a,11-tetrahydrobenzo[b]carbazol-5-yl)-2-benzo[b]carbazol-5-yl-5',11'-bis(trifluoromethyl)spiro[1,9a-dihydrofluorene-9,8'-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene]
SMILESFC(F)(F)c1cnc2c(c1)C1(c3cc(-n4c5c(c6ccccc64)CC4C=CC=CC4C5)ccc3C3=CC=C(n4c5ccccc5c5cc6ccccc6cc54)CC31)c1cc(C(F)(F)F)cnc1-2
InChIInChI=1S/C57H36F6N4/c58-56(59,60)35-25-47-53(64-29-35)54-48(26-36(30-65-54)57(61,62)63)55(47)45-27-37(66-49-15-7-5-13-41(49)43-21-31-9-1-3-11-33(31)23-51(43)66)17-19-39(45)40-20-18-38(28-46(40)55)67-50-16-8-6-14-42(50)44-22-32-10-2-4-12-34(32)24-52(44)67/h1-21,23,25-26,28-30,32,34,45H,22,24,27H2
InChIKeyMJRQWQHPZJEVPD-UHFFFAOYSA-N
XLogP14.45
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500890.93
LogP ≤ 514.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-(6,6a,10a,11-tetrahydrobenzo[b]carbazol-5-yl)-2-benzo[b]carbazol-5-yl-5',11'-bis(trifluoromethyl)spiro[1,9a-dihydrofluorene-9,8'-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(6,6a,10a,11-tetrahydrobenzo[b]carbazol-5-yl)-2-benzo[b]carbazol-5-yl-5',11'-bis(trifluoromethyl)spiro[1,9a-dihydrofluorene-9,8'-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene]?
The IUPAC name of 7-(6,6a,10a,11-tetrahydrobenzo[b]carbazol-5-yl)-2-benzo[b]carbazol-5-yl-5',11'-bis(trifluoromethyl)spiro[1,9a-dihydrofluorene-9,8'-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene] (CID 163775033) is 7-(6,6a,10a,11-tetrahydrobenzo[b]carbazol-5-yl)-2-benzo[b]carbazol-5-yl-5',11'-bis(trifluoromethyl)spiro[1,9a-dihydrofluorene-9,8'-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene].
What is the SMILES notation for 7-(6,6a,10a,11-tetrahydrobenzo[b]carbazol-5-yl)-2-benzo[b]carbazol-5-yl-5',11'-bis(trifluoromethyl)spiro[1,9a-dihydrofluorene-9,8'-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene]?
The canonical SMILES for 7-(6,6a,10a,11-tetrahydrobenzo[b]carbazol-5-yl)-2-benzo[b]carbazol-5-yl-5',11'-bis(trifluoromethyl)spiro[1,9a-dihydrofluorene-9,8'-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene] is FC(F)(F)c1cnc2c(c1)C1(c3cc(-n4c5c(c6ccccc64)CC4C=CC=CC4C5)ccc3C3=CC=C(n4c5ccccc5c5cc6ccccc6cc54)CC31)c1cc(C(F)(F)F)cnc1-2.
What is the InChIKey of 7-(6,6a,10a,11-tetrahydrobenzo[b]carbazol-5-yl)-2-benzo[b]carbazol-5-yl-5',11'-bis(trifluoromethyl)spiro[1,9a-dihydrofluorene-9,8'-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene]?
The InChIKey is MJRQWQHPZJEVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36F6N4/c58-56(59,60)35-25-47-53(64-29-35)54-48(26-36(30-65-54)57(61,62)63)55(47)45-27-37(66-49-15-7-5-13-41(49)43-21-31-9-1-3-11-33(31)23-51(43)66)17-19-39(45)40-20-18-38(28-46(40)55)67-50-16-8-6-14-42(50)44-22-32-10-2-4-12-34(32)24-52(44)67/h1-21,23,25-26,28-30,32,34,45H,22,24,27H2.
What are the key properties of 7-(6,6a,10a,11-tetrahydrobenzo[b]carbazol-5-yl)-2-benzo[b]carbazol-5-yl-5',11'-bis(trifluoromethyl)spiro[1,9a-dihydrofluorene-9,8'-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene]?
7-(6,6a,10a,11-tetrahydrobenzo[b]carbazol-5-yl)-2-benzo[b]carbazol-5-yl-5',11'-bis(trifluoromethyl)spiro[1,9a-dihydrofluorene-9,8'-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene] has a molecular weight of 890.93 g/mol, XLogP of 14.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6,6a,10a,11-tetrahydrobenzo[b]carbazol-5-yl)-2-benzo[b]carbazol-5-yl-5',11'-bis(trifluoromethyl)spiro[1,9a-dihydrofluorene-9,8'-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene] is sourced from PubChem (CID 163775033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).